mdkits 0.1.22__py3-none-any.whl → 0.1.24__py3-none-any.whl
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Potentially problematic release.
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- mdkits/build_cli/build_solution.py +6 -4
- {mdkits-0.1.22.dist-info → mdkits-0.1.24.dist-info}/METADATA +1 -1
- {mdkits-0.1.22.dist-info → mdkits-0.1.24.dist-info}/RECORD +6 -6
- {mdkits-0.1.22.dist-info → mdkits-0.1.24.dist-info}/LICENSE +0 -0
- {mdkits-0.1.22.dist-info → mdkits-0.1.24.dist-info}/WHEEL +0 -0
- {mdkits-0.1.22.dist-info → mdkits-0.1.24.dist-info}/entry_points.txt +0 -0
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@@ -51,8 +51,8 @@ def main(filename, infile, install_julia, install_packmol, water_number, n, tole
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except subprocess.CalledProcessError as e:
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print(f"Julia install failed: {e}")
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-
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else:
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print(f"unsupport os: {os_name}")
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if install_packmol:
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import julia
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@@ -67,8 +67,9 @@ def main(filename, infile, install_julia, install_packmol, water_number, n, tole
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Pkg.add("Packmol")
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Main.exit()
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else:
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if os_name in ("Darwin", "Linux"):
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from julia.api import Julia
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jl = Julia(compiled_modules=False)
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from julia import Pkg, Main
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@@ -80,6 +81,7 @@ def main(filename, infile, install_julia, install_packmol, water_number, n, tole
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if os_name in ("Darwin", "Linux"):
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Pkg.activate("Packmol", shared=True)
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+
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while True:
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try:
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Main.using("Packmol")
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@@ -4,7 +4,7 @@ mdkits/build_cli/adsorbate.py,sha256=Zp21i-miFv5zQlYjZnZuVpMxvNVT-6RtdlaoWDMwaOg
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mdkits/build_cli/build_bulk.py,sha256=o3SFov5Ggk-qKcy6-NBoIYKvZV24OhcH3-du1d0U6H4,1593
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mdkits/build_cli/build_cli.py,sha256=sqjnq5aHWLYLbNzN5SORkEYeYaewLagFuSvspJxyh7E,725
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mdkits/build_cli/build_interface.py,sha256=3EDxUb-vGHFuat1Ex_wojVsN8PtzHiGrnDQIEa9WZ60,2448
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-
mdkits/build_cli/build_solution.py,sha256=
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mdkits/build_cli/build_solution.py,sha256=B1wfNvIab2AiDDvDHDzPX3Qfwj3hrurF21nxEJe3MBA,5492
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mdkits/build_cli/build_surface.py,sha256=cBEQ-KR_6j-Mcsxrwvzyl6p1SiY_chIytrCu7MS3q08,2794
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mdkits/build_cli/cut_surface.py,sha256=R0Snr-y23SYLfNhdBC5VgT4KFY1SOGn5hZlVvX5CUvw,2757
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mdkits/build_cli/supercell.py,sha256=3iTTt3DHaERWDFonhBRS0oqWhjFh6pbS5SpIR-O1gYg,1034
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@@ -36,8 +36,8 @@ mdkits/util/numpy_geo.py,sha256=1Op8THoQeyqybSZAi7hVxohYCr4SzY6ndZC8_gAGXDA,3619
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mdkits/util/os_operation.py,sha256=ErN2ExjX9vZRfPe3ypsj4eyoQTEePqzlEX0Xm1N4lL4,980
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mdkits/util/out_err.py,sha256=b4eFz9kqqNReK9UCHak9k5tBlEj9yHAIADDTRbaNaNk,693
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mdkits/util/structure_parsing.py,sha256=mRPMJeih3O-ST7HeETDvBEkfV-1psT-XgxyYgDadV0U,4152
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mdkits-0.1.
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mdkits-0.1.
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mdkits-0.1.
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mdkits-0.1.
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mdkits-0.1.
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mdkits-0.1.24.dist-info/entry_points.txt,sha256=xoWWZ_yL87S501AzCO2ZjpnVuYkElC6z-8J3tmuIGXQ,44
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mdkits-0.1.24.dist-info/LICENSE,sha256=VLaqyB0r_H7y3hUntfpPWcE3OATTedHWI983htLftcQ,1081
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mdkits-0.1.24.dist-info/METADATA,sha256=E4rxc6soC60nTAPjq38oY_Ckqidk3VH6ap4jQkFJsFM,6907
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mdkits-0.1.24.dist-info/WHEEL,sha256=XbeZDeTWKc1w7CSIyre5aMDU_-PohRwTQceYnisIYYY,88
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mdkits-0.1.24.dist-info/RECORD,,
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File without changes
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File without changes
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File without changes
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