IMDClient

View on PyPIReverse Dependencies (0)

0.1.4 imdclient-0.1.4-py3-none-any.whl

Wheel Details

Project: IMDClient
Version: 0.1.4
Filename: imdclient-0.1.4-py3-none-any.whl
Download: [link]
Size: 1185645
MD5: 0df03788698c7da7e9248fcee035a6c6
SHA256: ed28b002ee85bcf51612094406835019a1e95f6e1936610a94bc425114a65c93
Uploaded: 2024-12-13 16:38:14 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: imdclient
Version: 0.1.4
Summary: Receiver for IMD v2 and v3 data from simulation engines like Gromacs, LAMMPS, and NAMD
Author-Email: Lawson <ljwoods2[at]asu.edu>
Maintainer-Email: Lawson <ljwoods2[at]asu.edu>
License: Copyright 2024 Lawson Woods Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the “Software”), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
Keywords: molecular simulations
Requires-Python: >=3.9
Requires-Dist: MDAnalysis (>=2.7.0)
Requires-Dist: pytest (>=6.0); extra == "test"
Requires-Dist: pytest-xdist (>=2.5); extra == "test"
Requires-Dist: pytest-cov (>=3.0); extra == "test"
Requires-Dist: MDAnalysisTests (>=2.7.0); extra == "test"
Requires-Dist: docker-py; extra == "test"
Requires-Dist: sphinx; extra == "doc"
Requires-Dist: sphinx_rtd_theme; extra == "doc"
Provides-Extra: test
Provides-Extra: doc
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: AUTHORS.md
[Description omitted; length: 5121 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
imdclient/IMD.py sha256=QkYU0OUxrrjKVxumeEju3Jcewkj46K7DBk_J3vO5m1E 3842
imdclient/IMDClient.py sha256=9AMKniQaCNDgWO2esF_SXEgdf3fp_4pcZ5fUNpzewcY 34349
imdclient/IMDProtocol.py sha256=wePIuFlKGIULWXHJPCmzRVWBGlBiyDOJXgjxyQb7ssY 4063
imdclient/__init__.py sha256=Pa5h6Fjyvyxf3ECzO43pcmLm3Vk-vOuEb5Gi6TDWhds 339
imdclient/backends.py sha256=QmHjwYbmvFVHz-uFgpSOA0UmZTZqiMGqWMO7B8wr1zs 10368
imdclient/results.py sha256=2MyjFdQMW7BfiHhG5X6wQwMVrF_0mKYFnv907lgLMas 9920
imdclient/streamanalysis.py sha256=Qq0h_WPO-wb0_lP8jTRHe0HX7UDZNgJFA6C4PZdUmK8 38385
imdclient/streambase.py sha256=rwhdyC2V3_9pSz_6rNwjSc4MNToI9S318OH7AH0arHA 6176
imdclient/utils.py sha256=VWxk4vQ6hzxoYRu-8Ge8fJG-EitJwgJR93wOWCvzY-0 3308
imdclient/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
imdclient/data/gromacs/md/gromacs_struct.gro sha256=kt4vE10iF_1RbeyTogmYmIY9yKJacofrzNT-hPHGyL8 1459301
imdclient/data/gromacs/md/gromacs_v3.top sha256=AXFEDjvz5Qqq-VECffimdeEvhD6L-H0SFPILW-6Sums 348329
imdclient/data/gromacs/md/gromacs_v3_nst1.mdp sha256=VFAS3uM0oifxuX5WLz85vvRlwmzR-BhQbMCzjweaJcU 3040
imdclient/data/gromacs/md/gromacs_v3_nst8.mdp sha256=CYz5gKFApeJMrJyCmd3kgPFzRjahgaLRNyIomuVyY0w 3053
imdclient/data/lammps/md/lammps_topol.data sha256=u4osSkn7yG9p2Egz9ovLW4eVmdaThPxeZ0L218J3-V0 172948
imdclient/data/lammps/md/lammps_v3_nst_1.in sha256=AcvkgNNDtTkB7RlFZwpUEKKp6W_7o_UFgrX_LwC3HXI 2586
imdclient/data/lammps/md/lammps_v3_nst_8.in sha256=gpdAp1dDhJbG06wZVDtBGUs6biJNz8EStV341S0uJ2s 2594
imdclient/data/namd/md/alanin.params sha256=zWw-UfqYD3-xpdA_8R8T-0OYBbUM6py7jKAq_uyu8HE 17389
imdclient/data/namd/md/alanin.pdb sha256=eccDD-ledUXjbB2s1fxY40lmAKWWDpxkxANbsOkqjHc 5615
imdclient/data/namd/md/alanin.psf sha256=VhCZeGFhpUa8yN5iEL19zlVjqIJg2JIdPzhazpRForY 12953
imdclient/data/namd/md/namd_v3_nst_1.namd sha256=EZU7PGyytZdGixrBnmpAcwonN0n_JTk9U-Q82FoqO7k 983
imdclient/data/namd/md/namd_v3_nst_8.namd sha256=WJmwj0E4nJVhYRr_ALBlTax6kyNkdRE1krPsmY-QFLM 984
imdclient/tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
imdclient/tests/base.py sha256=gbu39CpII5mc9-rDSEZoQNv8JmNFwW1vviYkfOQmbD4 8043
imdclient/tests/conftest.py sha256=Xqz9ZjBXpnViSryR4CXjJdOyqZ1MOCAjuA0sRVwAVfk 31
imdclient/tests/datafiles.py sha256=0wAg1q5oB3Ve6XnSfnB6oGzbh7JvVpSGpj-ba0H2Z5w 1515
imdclient/tests/server.py sha256=x3IY5FDDS4z99_UyuuRe56CHd_XtfINJRolGbkNyOl8 6629
imdclient/tests/test_gromacs.py sha256=rXkabRB40xX7LRdF2_nrPgeNpfFF9J7m-5LeRNMA5TM 1454
imdclient/tests/test_imdclient.py sha256=FQwuNbJwOLgK33v5mFmbhaGaPSqXA8byTWFtYCpYyJo 7716
imdclient/tests/test_imdreader.py sha256=-DEFcwef87CZPXut45I2gpZPg_K3XXPFFreBqsW3ciE 25433
imdclient/tests/test_lammps.py sha256=hwZBVvhclN1mtPuYLyODUaWjlaZaAkhAFqX-mpQvWk4 2244
imdclient/tests/test_manual.py sha256=t5NeT1oPit9EMGxH4yG7hxnKQ24UEzZtR-vC1WOQAkc 8118
imdclient/tests/test_namd.py sha256=dFOJUQl9ByekuuYgUOIirf6qFj5_qaKfgQq4Qimtotw 3671
imdclient/tests/test_stream_analysis.py sha256=qqsm_Bv8qCXyNwgdSKZM8bLyiEO5nlpqJ-XtEn-YKew 1723
imdclient/tests/utils.py sha256=_x1gVQ3AmhaMurpcEPLKBG5BTGu4ZMy5EGUpr0P6D6g 854
imdclient/tests/docker_testing/docker.md sha256=SxHEpSA1mXAvzYzsxL0EesGqPCVC8qdRMbvxGz5R0Yo 840
imdclient/tests/hpc_testing/gromacs/README.md sha256=2SHVtIu5EyS8bwCMeWTZFgQoh1mmOwcBFjijzYDkj6k 2847
imdclient/tests/hpc_testing/gromacs/gmx_gpu_test.mdp sha256=BZl554WoHVi0bQq-Eb8UeYrdfum2TBHhtWFj4DxReCY 3050
imdclient/tests/hpc_testing/gromacs/gmx_gpu_test.top sha256=AXFEDjvz5Qqq-VECffimdeEvhD6L-H0SFPILW-6Sums 348329
imdclient/tests/hpc_testing/gromacs/struct.gro sha256=uT_Je8Jc37-o8gfkhFRH0PWcg3LOGkQj4ErSCkLMk00 1459301
imdclient/tests/hpc_testing/gromacs/validate_gmx.sh sha256=dszRgiWu-_9b4DxQP4u5x4Hi1liedjMG2YXQNURZQsQ 1938
imdclient/tests/hpc_testing/lammps/README.md sha256=Ek5z8H3gSxCoHg-gymMfmqKqi1URFvgRH4dYZuaC8Ro 1594
imdclient/tests/hpc_testing/lammps/lammps_v3_nst_1.in sha256=AcvkgNNDtTkB7RlFZwpUEKKp6W_7o_UFgrX_LwC3HXI 2586
imdclient/tests/hpc_testing/lammps/topology_after_min.data sha256=6CXJTFiVnnK6rKGK541sFYZ_6xjlkjebeWu0KPQl8Gc 172948
imdclient/tests/hpc_testing/lammps/validate_lmp.sh sha256=gqNFUvxLojBM1yrUHloL4FJm8pl4CNjTvgSYwh11pTc 1402
imdclient/tests/hpc_testing/namd/README.md sha256=fNnhQPcVS-wkG4aCtj7ru2CpoIMmxJFA9-9bGa9NQ2o 2103
imdclient/tests/hpc_testing/namd/alanin.params sha256=zWw-UfqYD3-xpdA_8R8T-0OYBbUM6py7jKAq_uyu8HE 17389
imdclient/tests/hpc_testing/namd/alanin.pdb sha256=eccDD-ledUXjbB2s1fxY40lmAKWWDpxkxANbsOkqjHc 5615
imdclient/tests/hpc_testing/namd/alanin.psf sha256=VhCZeGFhpUa8yN5iEL19zlVjqIJg2JIdPzhazpRForY 12953
imdclient/tests/hpc_testing/namd/namd_v3_nst_1.namd sha256=EZU7PGyytZdGixrBnmpAcwonN0n_JTk9U-Q82FoqO7k 983
imdclient/tests/hpc_testing/namd/validate_namd.sh sha256=oMZNkY2p13q_4TJwepS5WjlT4xwxCoaZbDiWfLIWIvs 1543
imdclient-0.1.4.dist-info/AUTHORS.md sha256=R4JTI7mrgL1WYgfyuAv4quw0e0oLQGVjWcMQa-UXJlE 652
imdclient-0.1.4.dist-info/LICENSE sha256=28aS5DC2LCwcOVe3VN0g2L-Dooqof34T9TMGJ6jqMig 593
imdclient-0.1.4.dist-info/METADATA sha256=Uu9wpmeThDtEKtLPeqElgkG9R_DZSyxsIxzQUOjchds 6531
imdclient-0.1.4.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
imdclient-0.1.4.dist-info/top_level.txt sha256=40W62GWiXUT2CbDm-No7GTeJG160wyIMpk1hBNrdkkE 10
imdclient-0.1.4.dist-info/RECORD

top_level.txt

imdclient