Parser for ORCA output files.
Project description
ORCA output parser
Installation
pip install orca-rs
Usage
from orca_rs import parse
output = parse("orca-results.out")
import pprint
pprint.pprint(output)
# {'soc_matrix': {'eigenvectors': [{'elements': [{'imag': 0.8511099815368652,
# 'ms': 0,
# 'real': -0.5249800086021423,
# 'root': 0,
# 'spin': 0,
# 'weight': 0.9999899864196777}],
# 'energy': 0.0,
# 'n': 0},
# {'elements': [{'imag': 0.5458400249481201,
# 'ms': 0,
# 'real': -0.07343000173568726,
# 'root': 1,
# 'spin': 1,
# 'weight': 0.3033300042152405},
# {'imag': 0.15578000247478485,
# 'ms': -1,
# 'real': 0.5692600011825562,
# 'root': 1,
# 'spin': 1,
# 'weight': 0.34832999110221863},
# {'imag': 0.00019999999494757503,
# 'ms': 1,
# 'real': 0.5901899933815002,
# 'root': 1,
# 'spin': 1,
# 'weight': 0.34832999110221863}],
# 'energy': 24397.099609375,
# 'n': 1},
# ...
# ]
# }
# }
Project details
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orca_rs-0.2.0.tar.gz
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orca_rs-0.2.0-cp312-none-win32.whl
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orca_rs-0.2.0-cp311-none-win32.whl
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Algorithm | Hash digest | |
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SHA256 | 9ff927cffcd322ea7fee83b549c3f161fe6a79f7e2f43ae503a2a3328da42ca8 |
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MD5 | c7afa01c396740b316da936bc66059f0 |
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SHA256 | 294df11b5cf71dde682de5a60b6771aea400ad89f101d00bddd8c2540c875d7a |
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MD5 | a672aa6e5647d6b5252729f5caeb5092 |
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SHA256 | 8ff91cb6d76430d3424b8f5ac9c0d58e04744ef8ebca36d52f58e57b908747b4 |
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MD5 | c0610c7d5dd76600ffdc016267a117c1 |
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Algorithm | Hash digest | |
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SHA256 | 37b7255bf16b7562b32b783cae56225c8df0cf884564b16f40d94f28bf87a46e |
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MD5 | 83591dfb4416ac8c04de24392824900b |
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Hashes for orca_rs-0.2.0-pp310-pypy310_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm | Hash digest | |
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SHA256 | aa97c6bc748d13d50478fe115dac90e1df654b30f519e277ebd5dc1dbf7c391d |
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MD5 | 069e85cc8c5ef755c3e86f10c5ae0c1d |
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SHA256 | 7a5fd311722ea1b30743824831a9d032150028a2ec26e7cfb3a10d11e404bb9d |
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MD5 | 025f6e1787035c14ff15fc871dd6ac66 |
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Hashes for orca_rs-0.2.0-cp313-cp313-manylinux_2_17_s390x.manylinux2014_s390x.whl
Algorithm | Hash digest | |
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SHA256 | d4f57a5f99bedf70a3bca44eecb14b92563795eb0eb8ad1c688afb590aa862ee |
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MD5 | 4f68930deb3b38cfb569175c04e674c4 |
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Hashes for orca_rs-0.2.0-cp313-cp313-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl
Algorithm | Hash digest | |
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SHA256 | a1b6fe5d96eeff59e59376e56391a600dd39d8847d0eab6bde86b170d8dcb23d |
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MD5 | 50ea64d0366a12c7e0025f5c5c0e4c8f |
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Hashes for orca_rs-0.2.0-cp313-cp313-manylinux_2_17_armv7l.manylinux2014_armv7l.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | f20d335d51e93e6bed526bed8dab56544d8b2dccfcd014288caf3bb209d3f16c |
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MD5 | d5d03e2df580c7cf2743e3f3b3ada4a8 |
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BLAKE2b-256 | 5fe631abdbaa83dd9e1c604c8f840ad0dab1206b8f42ddf89f81747f9d67fe5c |
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Algorithm | Hash digest | |
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SHA256 | 5a4fe61358f2e36319cb37d68e6243736a7ab7361ece4116ff31f337031aaa5a |
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MD5 | 50807150cc5d285b6506a445adb56e68 |
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BLAKE2b-256 | 17fd37e6a249a9944d79b198486602b262754338382001f7c570a831ee1611ac |
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Hashes for orca_rs-0.2.0-cp312-none-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c54745cba7cc7eb7c966f7530f67030aad2b4eefc5085b644caf211199a20504 |
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MD5 | 09da95db79854ab89c0e0b8a2834ee6f |
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BLAKE2b-256 | ab8b7adf4352267b21a562feb255356cee569bb1feb3620d3ce834f8f76835a5 |
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Hashes for orca_rs-0.2.0-cp312-none-win32.whl
Algorithm | Hash digest | |
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SHA256 | e5f87b103fbe54856e6f3b9db0b51a0696d22da583a8581566511167e1f7f322 |
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MD5 | 1c77e507ed539dc72a5b8a8302092e59 |
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BLAKE2b-256 | f633b8c5206b4cc7b8b8862ed10c80eb502460f853f5325bba63de8856d5c6fb |
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Hashes for orca_rs-0.2.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 83829af05ee9954a29c24d309f3f86af600e2dfdb04b3c3c65e671aa39cfd2fd |
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MD5 | 6711e06ffc2cea46fe280f62e73bcbc5 |
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BLAKE2b-256 | 24f155e8c21d35be1523a9ee4b65e9510f4bb7754a668ca6399b07de387b8a25 |
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Hashes for orca_rs-0.2.0-cp312-cp312-manylinux_2_17_s390x.manylinux2014_s390x.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 161e4c9773a956600fd4f4772280bfdc6323c2a944dbc7d64a2c89a156f39fbf |
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MD5 | 8df483384f78861e9eeff64ac39169a0 |
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BLAKE2b-256 | 58042a455c6085aee78afa765001ed2de7dc984261f9817367fccafc8e5573bb |
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Hashes for orca_rs-0.2.0-cp312-cp312-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 865384bb66dbc7edf08457bff679e90074549cff2478dd2ce90a2c340c5f958c |
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MD5 | 3949e07e63e5ea7542713fd2ecb71760 |
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BLAKE2b-256 | 8b5cc4f2e437b2c563518119aef032f36d469d1f46b61ae8f6009e52e337e1fa |
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Hashes for orca_rs-0.2.0-cp312-cp312-manylinux_2_17_armv7l.manylinux2014_armv7l.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | be08f11c2c637457334806b077002859a6c224bbff990059800901795cdd5cfd |
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MD5 | 626b5e71ba777db5353c4369423f2dda |
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BLAKE2b-256 | a4475172def22988d17f824a2a96f1fa7ec184a0f97931a7f8b04a49aa6ab2dc |
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Hashes for orca_rs-0.2.0-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c76a13b4e25aa5b589d4fce942c40d88e90ea379d953cefc5a009718e989dfac |
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MD5 | 11c71c23f7f4093061967f6224d5a75f |
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BLAKE2b-256 | f6aee9f45512fa90f611795bb4d252e31a696fb5bf2dc1d3fa7e01be8bad9909 |
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Algorithm | Hash digest | |
---|---|---|
SHA256 | c1dbd9994a013ad9599ae587cab790ba8789b1e61c500f2ddd6d373ddc8a8b96 |
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MD5 | 33213b83f36080f616e8df4903ee0b6b |
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BLAKE2b-256 | 7e628054ca412557bc584fd0344781ebf4a014a630b02afd66d41cda9626ee55 |
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Hashes for orca_rs-0.2.0-cp312-cp312-macosx_11_0_arm64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 5b41121a746f566be4d3aeb7b43b114f50a695befe0782638038e81037d36d8d |
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MD5 | 858de73c55161d15827f8912b6a93aa5 |
|
BLAKE2b-256 | d44052442511b818128c8713a91163af0b50d9aff606ab112d9fe2d318844f4c |
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Hashes for orca_rs-0.2.0-cp312-cp312-macosx_10_12_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | dd348528d3768ef9d69816192fc41dba30012c5f5b07b14702c98612ef0f868f |
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MD5 | bb61b1f0ea05db979c2de068b4955b3c |
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BLAKE2b-256 | bcfa13906750706804c9030acec4cac4521016520bd970769ef90d6538792b8a |
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Hashes for orca_rs-0.2.0-cp311-none-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | a34be1b227d81b39ea3eaabbd01eaa02991b42de661f89bce184695d10a6f128 |
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MD5 | 36dc2ab2122361e9218f526f3394336d |
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BLAKE2b-256 | 63ab9475eebfc41824269f780d696fae01591700ff2a2957ea1ae52b44d31d52 |
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Hashes for orca_rs-0.2.0-cp311-none-win32.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | bdb22748dff618cca9200950786d119c25dfffe8e0e3e1648c4d1c11e0d63252 |
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MD5 | 85f3c8394ba505ce06009ada4ca85cf3 |
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BLAKE2b-256 | 6be3a2afdfb2c1287c819bdb3a67fcb2e806f28b1752f1ffb3200ffcfa4acd70 |
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Hashes for orca_rs-0.2.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 42ae5c734256b56ae7a36db10cc34444c4fbd9b5a8cf81d988360d290ddc36df |
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MD5 | 7a153c104c8a41d3e3d42ddf07356bef |
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BLAKE2b-256 | c2e8dbb842b7ed6588b67b3d8e942e7bbb1a914054ce95a5e1ce9765c4192a18 |
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Hashes for orca_rs-0.2.0-cp311-cp311-manylinux_2_17_s390x.manylinux2014_s390x.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4d5951d7d4cba961e58ce5a09e11a7dd0e5ced0ce361af45bee0c1890f14d1a4 |
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MD5 | 3d247c1223448218cf17d1f94ab326a9 |
|
BLAKE2b-256 | 02f1887eefa7fa6b7080aae9e41b65bb59e6d764b44b2092cfce38cca1aecc19 |
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Hashes for orca_rs-0.2.0-cp311-cp311-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | e176c0759cc5acbc3a6510389834458c849ec1754930ee8b13420e0840e6132c |
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MD5 | 02f1cc95974750e8da1b9a3e052dba53 |
|
BLAKE2b-256 | c6b933234abbe2fdc821d5bab1415fc935ee11ea345ee3262ccf0ff58ce25b67 |
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Hashes for orca_rs-0.2.0-cp311-cp311-manylinux_2_17_armv7l.manylinux2014_armv7l.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 2ac59c60694d883a27f8ab746ce4575a41690f81f9a258b1ecd18122ae9f77e5 |
|
MD5 | d379db3d2e958bf823373bc8cab47538 |
|
BLAKE2b-256 | f47bcfc1c984fbdfe2644dd0474caea7def8eea3d4428ef6f5cf686be199e0c4 |
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Hashes for orca_rs-0.2.0-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 9b0b0b4d5770947188c547facb31ca89193e0bd74a30ee385d2e1f855880ebb6 |
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MD5 | 8e6aae3b2249911b1ad9354c03c4c5d9 |
|
BLAKE2b-256 | 700763cae87322b03a92a77078dc7d05131ab55f3f6e3613f1f45a3043764941 |
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Hashes for orca_rs-0.2.0-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 652d6d3a126c7159103e67fe7ff853c4675c1c184a651f6af72b4720037daefc |
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MD5 | e3d5009ec856219ef784e67c10de45e5 |
|
BLAKE2b-256 | 370a96a93b67b0ed5a9efe54f574e9fdb8f8fb0f2c6363f36968602fd4a9142e |
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Hashes for orca_rs-0.2.0-cp311-cp311-macosx_11_0_arm64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | d748727f85cd76443c9d7eb8a027efc3278162fea6e581a9d09473f07d1c8bd3 |
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MD5 | 7d5587a4ffdfc0a7639008018f897966 |
|
BLAKE2b-256 | 906518a1f4da1850651a59d6064e588af9546064cd34a413ca48f95a77bce8f5 |
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Hashes for orca_rs-0.2.0-cp311-cp311-macosx_10_12_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 6f02846ae7d388fb809467619f7c304134107ab9b6ddb6d6681c3dd5f829438c |
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MD5 | adb0ca188a30e2c6097b1cec01e0abd2 |
|
BLAKE2b-256 | a65e75d079bf86c7d4e6f1eaf7057bba962f9a3e3e35fef71a4df1503fb52db6 |
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Hashes for orca_rs-0.2.0-cp310-none-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | a96999edc0aef0b955316c1d5663a4e740dec7c42ef82f41dac1edb8f9603c9a |
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MD5 | d08a6d1fe566c8056dc3aea8a678bd19 |
|
BLAKE2b-256 | 10a6df4884365cda583cc45cf65abc25b9ea42217c164f0c0a651f49e9c2e2a3 |
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Hashes for orca_rs-0.2.0-cp310-none-win32.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 315cabb6dfc49dd5a4a695cbd5de873baa31ce001c1311d56132ded801637d92 |
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MD5 | 6e0bb9fcfd1c3f039f633a10f3b555a5 |
|
BLAKE2b-256 | 10b183c080f5841e604e1cb05011f3fd46a94c6ea0dfaa6f167a1019f9808fdf |
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Hashes for orca_rs-0.2.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 2b62090c089608701ebe29d3e2f9e603a1205a64a909add2eabbad54e7e5bfa8 |
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MD5 | 4d7959aba809e79c23175eae26f23d67 |
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BLAKE2b-256 | 0d1bb96188243a3240d62dbe9a805dfda0cbe7c468b23a3bf93d1d642f426135 |
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Hashes for orca_rs-0.2.0-cp310-cp310-manylinux_2_17_s390x.manylinux2014_s390x.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 0fc6287fde6fe0012ebe30f839bd75e4622601e3b45837e1d38aa2a1ae7e58cf |
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MD5 | b514dfdb0fe68ef5ab9ea4e7af7903b3 |
|
BLAKE2b-256 | fc626df0f9815bb963e15e804a32e98f70ad97288663c65aa4618cedcef37259 |
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Hashes for orca_rs-0.2.0-cp310-cp310-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c42ca42ec044db43018bab9cb72e1142a5d60abdcf0d810ea5cdea7109e417ed |
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MD5 | a303f5ae4a33e8629a6c2d07db19343e |
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BLAKE2b-256 | fb3c91578faa960630a8ba0f996e728d484dbf52172c58fe6fbf55df24da993c |
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Hashes for orca_rs-0.2.0-cp310-cp310-manylinux_2_17_armv7l.manylinux2014_armv7l.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 059366d8bf1c81aca60ae2ef059cc39bd8d5849b2667dbdc189db2737c2b7871 |
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MD5 | 70905ea672c533f5c1254f13ea6513a8 |
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BLAKE2b-256 | 800892888ab00d7b32038ecf790e2c015fd6a58fa2125f11ba58860f2d496697 |
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Hashes for orca_rs-0.2.0-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 3fdbd6c29d838922db115e814c18da908e4ad1daed341191a2d98829240397a5 |
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MD5 | a183f0176e9671a3e6d16feaefd7884c |
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BLAKE2b-256 | 0a1e2153a54d0713d759e48a264b2153ee4c6758dd663ac365546bc520e622a4 |
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Hashes for orca_rs-0.2.0-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | b96ee2656fd698086edfbcc929f587a6dc5b177946675d0f880e7d4f57207596 |
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MD5 | b49832badce27bb325255a4995a70f06 |
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BLAKE2b-256 | 23ada9a10699195d1a1be662383662608d7ce1bad1cfc03d4e4b0bbb5b17ad75 |
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Hashes for orca_rs-0.2.0-cp310-cp310-macosx_11_0_arm64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 384779afb03a55b2cde80b57fdbe5f9aae5430b1c7bd2f3e5fae41a7c7040231 |
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MD5 | 9586597f2077abf7428cd89976497e7f |
|
BLAKE2b-256 | 8d247037a3d66245096df50a9bee9898e177db342c3554ecaec7d095d02032d3 |
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Hashes for orca_rs-0.2.0-cp310-cp310-macosx_10_12_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 19515db631940805d4cf4ddcc8e02879b025827398b5a4e5dd8ac343411c02ee |
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MD5 | 84c9cb4742fdf7e9787a81a12e768743 |
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BLAKE2b-256 | 364e88e33a7037c16a57dd32ed333a4c38513f9ca30f7873fe00ee1da18e9312 |