From 65d1b348f0fa333e29b65f92008452534a84db32 Mon Sep 17 00:00:00 2001
From: James Graham <j.graham@soton.ac.uk>
Date: Wed, 17 Mar 2021 17:56:20 +0000
Subject: [PATCH] build: downgrade astunparse due to MDTraj issue
Version 1.6.3 prevents MDTraj atom selection from working correctly
---
poetry.lock | 223 +++++++++++++++++++++++++------------------------
pyproject.toml | 1 +
2 files changed, 113 insertions(+), 111 deletions(-)
diff --git a/poetry.lock b/poetry.lock
index 1cc0faf..0ccc959 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -22,7 +22,7 @@ wrapt = ">=1.11,<2.0"
[[package]]
name = "astunparse"
-version = "1.6.3"
+version = "1.6.2"
description = "An AST unparser for Python"
category = "main"
optional = false
@@ -101,7 +101,7 @@ test = ["flake8 (==3.7.8)", "hypothesis (==3.55.3)"]
[[package]]
name = "coverage"
-version = "5.4"
+version = "5.5"
description = "Code coverage measurement for Python"
category = "dev"
optional = false
@@ -112,7 +112,7 @@ toml = ["toml"]
[[package]]
name = "cython"
-version = "0.29.21"
+version = "0.29.22"
description = "The Cython compiler for writing C extensions for the Python language."
category = "main"
optional = false
@@ -185,7 +185,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
[[package]]
name = "importlib-metadata"
-version = "3.4.0"
+version = "3.7.3"
description = "Read metadata from Python packages"
category = "dev"
optional = false
@@ -269,7 +269,7 @@ python-versions = "*"
[[package]]
name = "mdplus"
-version = "0.0.4"
+version = "0.0.5"
description = "Tools for molecular dynamics simulation setup and analysis."
category = "main"
optional = false
@@ -284,7 +284,7 @@ scipy = "*"
type = "git"
url = "https://bitbucket.org/claughton/mdplus.git"
reference = "master"
-resolved_reference = "acd94bb4988011f37724bdbd9f63e62f83c56c95"
+resolved_reference = "279d2f07686be0f0e5e15573a53bbebee75c8d27"
[[package]]
name = "mdtraj"
@@ -422,7 +422,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
[[package]]
name = "pygments"
-version = "2.8.0"
+version = "2.8.1"
description = "Pygments is a syntax highlighting package written in Python."
category = "main"
optional = false
@@ -586,7 +586,7 @@ astroid = ">=1.4"
[[package]]
name = "rich"
-version = "9.11.0"
+version = "9.13.0"
description = "Render rich text, tables, progress bars, syntax highlighting, markdown and more to the terminal"
category = "main"
optional = false
@@ -673,7 +673,7 @@ python-versions = "*"
[[package]]
name = "sphinx"
-version = "3.5.1"
+version = "3.5.2"
description = "Python documentation generator"
category = "dev"
optional = false
@@ -849,16 +849,16 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
[[package]]
name = "urllib3"
-version = "1.26.3"
+version = "1.26.4"
description = "HTTP library with thread-safe connection pooling, file post, and more."
category = "dev"
optional = false
python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, <4"
[package.extras]
-brotli = ["brotlipy (>=0.6.0)"]
secure = ["pyOpenSSL (>=0.14)", "cryptography (>=1.3.4)", "idna (>=2.0.0)", "certifi", "ipaddress"]
socks = ["PySocks (>=1.5.6,!=1.5.7,<2.0)"]
+brotli = ["brotlipy (>=0.6.0)"]
[[package]]
name = "vulture"
@@ -889,20 +889,20 @@ python-versions = "*"
[[package]]
name = "zipp"
-version = "3.4.0"
+version = "3.4.1"
description = "Backport of pathlib-compatible object wrapper for zip files"
category = "dev"
optional = false
python-versions = ">=3.6"
[package.extras]
-docs = ["sphinx", "jaraco.packaging (>=3.2)", "rst.linker (>=1.9)"]
-testing = ["pytest (>=3.5,!=3.7.3)", "pytest-checkdocs (>=1.2.3)", "pytest-flake8", "pytest-cov", "jaraco.test (>=3.2.0)", "jaraco.itertools", "func-timeout", "pytest-black (>=0.3.7)", "pytest-mypy"]
+docs = ["sphinx", "jaraco.packaging (>=8.2)", "rst.linker (>=1.9)"]
+testing = ["pytest (>=4.6)", "pytest-checkdocs (>=1.2.3)", "pytest-flake8", "pytest-cov", "pytest-enabler", "jaraco.itertools", "func-timeout", "pytest-black (>=0.3.7)", "pytest-mypy"]
[metadata]
lock-version = "1.1"
python-versions = "^3.6"
-content-hash = "cb58621a19006e715ec04d35c426637d55b88df8478cb043bebcaea8ef2cbcc5"
+content-hash = "1c426d5fdb40b4313cd1074500745074a1798a9f7409762e6cb14b7d9c750a54"
[metadata.files]
alabaster = [
@@ -914,8 +914,8 @@ astroid = [
{file = "astroid-2.4.1.tar.gz", hash = "sha256:4c17cea3e592c21b6e222f673868961bad77e1f985cb1694ed077475a89229c1"},
]
astunparse = [
- {file = "astunparse-1.6.3-py2.py3-none-any.whl", hash = "sha256:c2652417f2c8b5bb325c885ae329bdf3f86424075c4fd1a128674bc6fba4b8e8"},
- {file = "astunparse-1.6.3.tar.gz", hash = "sha256:5ad93a8456f0d084c3456d059fd9a92cce667963232cbf763eac3bc5b7940872"},
+ {file = "astunparse-1.6.2-py2.py3-none-any.whl", hash = "sha256:271fb1f3d7a2e3c66eab41000298860f046253d22ec96e4f024cfaf266805a8e"},
+ {file = "astunparse-1.6.2.tar.gz", hash = "sha256:dab3e426715373fd76cd08bb1abe64b550f5aa494cf1e32384f26fd60961eb67"},
]
atomicwrites = [
{file = "atomicwrites-1.4.0-py2.py3-none-any.whl", hash = "sha256:6d1784dea7c0c8d4a5172b6c620f40b6e4cbfdf96d783691f2e1302a7b88e197"},
@@ -946,90 +946,91 @@ commonmark = [
{file = "commonmark-0.9.1.tar.gz", hash = "sha256:452f9dc859be7f06631ddcb328b6919c67984aca654e5fefb3914d54691aed60"},
]
coverage = [
- {file = "coverage-5.4-cp27-cp27m-macosx_10_9_x86_64.whl", hash = "sha256:6d9c88b787638a451f41f97446a1c9fd416e669b4d9717ae4615bd29de1ac135"},
- {file = "coverage-5.4-cp27-cp27m-manylinux1_i686.whl", hash = "sha256:66a5aae8233d766a877c5ef293ec5ab9520929c2578fd2069308a98b7374ea8c"},
- {file = "coverage-5.4-cp27-cp27m-manylinux1_x86_64.whl", hash = "sha256:9754a5c265f991317de2bac0c70a746efc2b695cf4d49f5d2cddeac36544fb44"},
- {file = "coverage-5.4-cp27-cp27m-manylinux2010_i686.whl", hash = "sha256:fbb17c0d0822684b7d6c09915677a32319f16ff1115df5ec05bdcaaee40b35f3"},
- {file = "coverage-5.4-cp27-cp27m-manylinux2010_x86_64.whl", hash = "sha256:b7f7421841f8db443855d2854e25914a79a1ff48ae92f70d0a5c2f8907ab98c9"},
- {file = "coverage-5.4-cp27-cp27m-win32.whl", hash = "sha256:4a780807e80479f281d47ee4af2eb2df3e4ccf4723484f77da0bb49d027e40a1"},
- {file = "coverage-5.4-cp27-cp27m-win_amd64.whl", hash = "sha256:87c4b38288f71acd2106f5d94f575bc2136ea2887fdb5dfe18003c881fa6b370"},
- {file = "coverage-5.4-cp27-cp27mu-manylinux1_i686.whl", hash = "sha256:c6809ebcbf6c1049002b9ac09c127ae43929042ec1f1dbd8bb1615f7cd9f70a0"},
- {file = "coverage-5.4-cp27-cp27mu-manylinux1_x86_64.whl", hash = "sha256:ba7ca81b6d60a9f7a0b4b4e175dcc38e8fef4992673d9d6e6879fd6de00dd9b8"},
- {file = "coverage-5.4-cp27-cp27mu-manylinux2010_i686.whl", hash = "sha256:89fc12c6371bf963809abc46cced4a01ca4f99cba17be5e7d416ed7ef1245d19"},
- {file = "coverage-5.4-cp27-cp27mu-manylinux2010_x86_64.whl", hash = "sha256:4a8eb7785bd23565b542b01fb39115a975fefb4a82f23d407503eee2c0106247"},
- {file = "coverage-5.4-cp35-cp35m-macosx_10_9_x86_64.whl", hash = "sha256:7e40d3f8eb472c1509b12ac2a7e24158ec352fc8567b77ab02c0db053927e339"},
- {file = "coverage-5.4-cp35-cp35m-manylinux1_i686.whl", hash = "sha256:1ccae21a076d3d5f471700f6d30eb486da1626c380b23c70ae32ab823e453337"},
- {file = "coverage-5.4-cp35-cp35m-manylinux1_x86_64.whl", hash = "sha256:755c56beeacac6a24c8e1074f89f34f4373abce8b662470d3aa719ae304931f3"},
- {file = "coverage-5.4-cp35-cp35m-manylinux2010_i686.whl", hash = "sha256:322549b880b2d746a7672bf6ff9ed3f895e9c9f108b714e7360292aa5c5d7cf4"},
- {file = "coverage-5.4-cp35-cp35m-manylinux2010_x86_64.whl", hash = "sha256:60a3307a84ec60578accd35d7f0c71a3a971430ed7eca6567399d2b50ef37b8c"},
- {file = "coverage-5.4-cp35-cp35m-win32.whl", hash = "sha256:1375bb8b88cb050a2d4e0da901001347a44302aeadb8ceb4b6e5aa373b8ea68f"},
- {file = "coverage-5.4-cp35-cp35m-win_amd64.whl", hash = "sha256:16baa799ec09cc0dcb43a10680573269d407c159325972dd7114ee7649e56c66"},
- {file = "coverage-5.4-cp36-cp36m-macosx_10_9_x86_64.whl", hash = "sha256:2f2cf7a42d4b7654c9a67b9d091ec24374f7c58794858bff632a2039cb15984d"},
- {file = "coverage-5.4-cp36-cp36m-manylinux1_i686.whl", hash = "sha256:b62046592b44263fa7570f1117d372ae3f310222af1fc1407416f037fb3af21b"},
- {file = "coverage-5.4-cp36-cp36m-manylinux1_x86_64.whl", hash = "sha256:812eaf4939ef2284d29653bcfee9665f11f013724f07258928f849a2306ea9f9"},
- {file = "coverage-5.4-cp36-cp36m-manylinux2010_i686.whl", hash = "sha256:859f0add98707b182b4867359e12bde806b82483fb12a9ae868a77880fc3b7af"},
- {file = "coverage-5.4-cp36-cp36m-manylinux2010_x86_64.whl", hash = "sha256:04b14e45d6a8e159c9767ae57ecb34563ad93440fc1b26516a89ceb5b33c1ad5"},
- {file = "coverage-5.4-cp36-cp36m-win32.whl", hash = "sha256:ebfa374067af240d079ef97b8064478f3bf71038b78b017eb6ec93ede1b6bcec"},
- {file = "coverage-5.4-cp36-cp36m-win_amd64.whl", hash = "sha256:84df004223fd0550d0ea7a37882e5c889f3c6d45535c639ce9802293b39cd5c9"},
- {file = "coverage-5.4-cp37-cp37m-macosx_10_9_x86_64.whl", hash = "sha256:1b811662ecf72eb2d08872731636aee6559cae21862c36f74703be727b45df90"},
- {file = "coverage-5.4-cp37-cp37m-manylinux1_i686.whl", hash = "sha256:6b588b5cf51dc0fd1c9e19f622457cc74b7d26fe295432e434525f1c0fae02bc"},
- {file = "coverage-5.4-cp37-cp37m-manylinux1_x86_64.whl", hash = "sha256:3fe50f1cac369b02d34ad904dfe0771acc483f82a1b54c5e93632916ba847b37"},
- {file = "coverage-5.4-cp37-cp37m-manylinux2010_i686.whl", hash = "sha256:32ab83016c24c5cf3db2943286b85b0a172dae08c58d0f53875235219b676409"},
- {file = "coverage-5.4-cp37-cp37m-manylinux2010_x86_64.whl", hash = "sha256:68fb816a5dd901c6aff352ce49e2a0ffadacdf9b6fae282a69e7a16a02dad5fb"},
- {file = "coverage-5.4-cp37-cp37m-win32.whl", hash = "sha256:a636160680c6e526b84f85d304e2f0bb4e94f8284dd765a1911de9a40450b10a"},
- {file = "coverage-5.4-cp37-cp37m-win_amd64.whl", hash = "sha256:bb32ca14b4d04e172c541c69eec5f385f9a075b38fb22d765d8b0ce3af3a0c22"},
- {file = "coverage-5.4-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:6c4d7165a4e8f41eca6b990c12ee7f44fef3932fac48ca32cecb3a1b2223c21f"},
- {file = "coverage-5.4-cp38-cp38-manylinux1_i686.whl", hash = "sha256:a565f48c4aae72d1d3d3f8e8fb7218f5609c964e9c6f68604608e5958b9c60c3"},
- {file = "coverage-5.4-cp38-cp38-manylinux1_x86_64.whl", hash = "sha256:fff1f3a586246110f34dc762098b5afd2de88de507559e63553d7da643053786"},
- {file = "coverage-5.4-cp38-cp38-manylinux2010_i686.whl", hash = "sha256:a839e25f07e428a87d17d857d9935dd743130e77ff46524abb992b962eb2076c"},
- {file = "coverage-5.4-cp38-cp38-manylinux2010_x86_64.whl", hash = "sha256:6625e52b6f346a283c3d563d1fd8bae8956daafc64bb5bbd2b8f8a07608e3994"},
- {file = "coverage-5.4-cp38-cp38-win32.whl", hash = "sha256:5bee3970617b3d74759b2d2df2f6a327d372f9732f9ccbf03fa591b5f7581e39"},
- {file = "coverage-5.4-cp38-cp38-win_amd64.whl", hash = "sha256:03ed2a641e412e42cc35c244508cf186015c217f0e4d496bf6d7078ebe837ae7"},
- {file = "coverage-5.4-cp39-cp39-macosx_10_9_x86_64.whl", hash = "sha256:14a9f1887591684fb59fdba8feef7123a0da2424b0652e1b58dd5b9a7bb1188c"},
- {file = "coverage-5.4-cp39-cp39-manylinux1_i686.whl", hash = "sha256:9564ac7eb1652c3701ac691ca72934dd3009997c81266807aef924012df2f4b3"},
- {file = "coverage-5.4-cp39-cp39-manylinux1_x86_64.whl", hash = "sha256:0f48fc7dc82ee14aeaedb986e175a429d24129b7eada1b7e94a864e4f0644dde"},
- {file = "coverage-5.4-cp39-cp39-manylinux2010_i686.whl", hash = "sha256:107d327071061fd4f4a2587d14c389a27e4e5c93c7cba5f1f59987181903902f"},
- {file = "coverage-5.4-cp39-cp39-manylinux2010_x86_64.whl", hash = "sha256:0cdde51bfcf6b6bd862ee9be324521ec619b20590787d1655d005c3fb175005f"},
- {file = "coverage-5.4-cp39-cp39-win32.whl", hash = "sha256:c67734cff78383a1f23ceba3b3239c7deefc62ac2b05fa6a47bcd565771e5880"},
- {file = "coverage-5.4-cp39-cp39-win_amd64.whl", hash = "sha256:c669b440ce46ae3abe9b2d44a913b5fd86bb19eb14a8701e88e3918902ecd345"},
- {file = "coverage-5.4-pp36-none-any.whl", hash = "sha256:c0ff1c1b4d13e2240821ef23c1efb1f009207cb3f56e16986f713c2b0e7cd37f"},
- {file = "coverage-5.4-pp37-none-any.whl", hash = "sha256:cd601187476c6bed26a0398353212684c427e10a903aeafa6da40c63309d438b"},
- {file = "coverage-5.4.tar.gz", hash = "sha256:6d2e262e5e8da6fa56e774fb8e2643417351427604c2b177f8e8c5f75fc928ca"},
+ {file = "coverage-5.5-cp27-cp27m-macosx_10_9_x86_64.whl", hash = "sha256:b6d534e4b2ab35c9f93f46229363e17f63c53ad01330df9f2d6bd1187e5eaacf"},
+ {file = "coverage-5.5-cp27-cp27m-manylinux1_i686.whl", hash = "sha256:b7895207b4c843c76a25ab8c1e866261bcfe27bfaa20c192de5190121770672b"},
+ {file = "coverage-5.5-cp27-cp27m-manylinux1_x86_64.whl", hash = "sha256:c2723d347ab06e7ddad1a58b2a821218239249a9e4365eaff6649d31180c1669"},
+ {file = "coverage-5.5-cp27-cp27m-manylinux2010_i686.whl", hash = "sha256:900fbf7759501bc7807fd6638c947d7a831fc9fdf742dc10f02956ff7220fa90"},
+ {file = "coverage-5.5-cp27-cp27m-manylinux2010_x86_64.whl", hash = "sha256:004d1880bed2d97151facef49f08e255a20ceb6f9432df75f4eef018fdd5a78c"},
+ {file = "coverage-5.5-cp27-cp27m-win32.whl", hash = "sha256:06191eb60f8d8a5bc046f3799f8a07a2d7aefb9504b0209aff0b47298333302a"},
+ {file = "coverage-5.5-cp27-cp27m-win_amd64.whl", hash = "sha256:7501140f755b725495941b43347ba8a2777407fc7f250d4f5a7d2a1050ba8e82"},
+ {file = "coverage-5.5-cp27-cp27mu-manylinux1_i686.whl", hash = "sha256:372da284cfd642d8e08ef606917846fa2ee350f64994bebfbd3afb0040436905"},
+ {file = "coverage-5.5-cp27-cp27mu-manylinux1_x86_64.whl", hash = "sha256:8963a499849a1fc54b35b1c9f162f4108017b2e6db2c46c1bed93a72262ed083"},
+ {file = "coverage-5.5-cp27-cp27mu-manylinux2010_i686.whl", hash = "sha256:869a64f53488f40fa5b5b9dcb9e9b2962a66a87dab37790f3fcfb5144b996ef5"},
+ {file = "coverage-5.5-cp27-cp27mu-manylinux2010_x86_64.whl", hash = "sha256:4a7697d8cb0f27399b0e393c0b90f0f1e40c82023ea4d45d22bce7032a5d7b81"},
+ {file = "coverage-5.5-cp310-cp310-macosx_10_14_x86_64.whl", hash = "sha256:8d0a0725ad7c1a0bcd8d1b437e191107d457e2ec1084b9f190630a4fb1af78e6"},
+ {file = "coverage-5.5-cp310-cp310-manylinux1_x86_64.whl", hash = "sha256:51cb9476a3987c8967ebab3f0fe144819781fca264f57f89760037a2ea191cb0"},
+ {file = "coverage-5.5-cp310-cp310-win_amd64.whl", hash = "sha256:c0891a6a97b09c1f3e073a890514d5012eb256845c451bd48f7968ef939bf4ae"},
+ {file = "coverage-5.5-cp35-cp35m-macosx_10_9_x86_64.whl", hash = "sha256:3487286bc29a5aa4b93a072e9592f22254291ce96a9fbc5251f566b6b7343cdb"},
+ {file = "coverage-5.5-cp35-cp35m-manylinux1_i686.whl", hash = "sha256:deee1077aae10d8fa88cb02c845cfba9b62c55e1183f52f6ae6a2df6a2187160"},
+ {file = "coverage-5.5-cp35-cp35m-manylinux1_x86_64.whl", hash = "sha256:f11642dddbb0253cc8853254301b51390ba0081750a8ac03f20ea8103f0c56b6"},
+ {file = "coverage-5.5-cp35-cp35m-manylinux2010_i686.whl", hash = "sha256:6c90e11318f0d3c436a42409f2749ee1a115cd8b067d7f14c148f1ce5574d701"},
+ {file = "coverage-5.5-cp35-cp35m-manylinux2010_x86_64.whl", hash = "sha256:30c77c1dc9f253283e34c27935fded5015f7d1abe83bc7821680ac444eaf7793"},
+ {file = "coverage-5.5-cp35-cp35m-win32.whl", hash = "sha256:9a1ef3b66e38ef8618ce5fdc7bea3d9f45f3624e2a66295eea5e57966c85909e"},
+ {file = "coverage-5.5-cp35-cp35m-win_amd64.whl", hash = "sha256:972c85d205b51e30e59525694670de6a8a89691186012535f9d7dbaa230e42c3"},
+ {file = "coverage-5.5-cp36-cp36m-macosx_10_9_x86_64.whl", hash = "sha256:af0e781009aaf59e25c5a678122391cb0f345ac0ec272c7961dc5455e1c40066"},
+ {file = "coverage-5.5-cp36-cp36m-manylinux1_i686.whl", hash = "sha256:74d881fc777ebb11c63736622b60cb9e4aee5cace591ce274fb69e582a12a61a"},
+ {file = "coverage-5.5-cp36-cp36m-manylinux1_x86_64.whl", hash = "sha256:92b017ce34b68a7d67bd6d117e6d443a9bf63a2ecf8567bb3d8c6c7bc5014465"},
+ {file = "coverage-5.5-cp36-cp36m-manylinux2010_i686.whl", hash = "sha256:d636598c8305e1f90b439dbf4f66437de4a5e3c31fdf47ad29542478c8508bbb"},
+ {file = "coverage-5.5-cp36-cp36m-manylinux2010_x86_64.whl", hash = "sha256:41179b8a845742d1eb60449bdb2992196e211341818565abded11cfa90efb821"},
+ {file = "coverage-5.5-cp36-cp36m-win32.whl", hash = "sha256:040af6c32813fa3eae5305d53f18875bedd079960822ef8ec067a66dd8afcd45"},
+ {file = "coverage-5.5-cp36-cp36m-win_amd64.whl", hash = "sha256:5fec2d43a2cc6965edc0bb9e83e1e4b557f76f843a77a2496cbe719583ce8184"},
+ {file = "coverage-5.5-cp37-cp37m-macosx_10_9_x86_64.whl", hash = "sha256:18ba8bbede96a2c3dde7b868de9dcbd55670690af0988713f0603f037848418a"},
+ {file = "coverage-5.5-cp37-cp37m-manylinux1_i686.whl", hash = "sha256:2910f4d36a6a9b4214bb7038d537f015346f413a975d57ca6b43bf23d6563b53"},
+ {file = "coverage-5.5-cp37-cp37m-manylinux1_x86_64.whl", hash = "sha256:f0b278ce10936db1a37e6954e15a3730bea96a0997c26d7fee88e6c396c2086d"},
+ {file = "coverage-5.5-cp37-cp37m-manylinux2010_i686.whl", hash = "sha256:796c9c3c79747146ebd278dbe1e5c5c05dd6b10cc3bcb8389dfdf844f3ead638"},
+ {file = "coverage-5.5-cp37-cp37m-manylinux2010_x86_64.whl", hash = "sha256:53194af30d5bad77fcba80e23a1441c71abfb3e01192034f8246e0d8f99528f3"},
+ {file = "coverage-5.5-cp37-cp37m-win32.whl", hash = "sha256:184a47bbe0aa6400ed2d41d8e9ed868b8205046518c52464fde713ea06e3a74a"},
+ {file = "coverage-5.5-cp37-cp37m-win_amd64.whl", hash = "sha256:2949cad1c5208b8298d5686d5a85b66aae46d73eec2c3e08c817dd3513e5848a"},
+ {file = "coverage-5.5-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:217658ec7187497e3f3ebd901afdca1af062b42cfe3e0dafea4cced3983739f6"},
+ {file = "coverage-5.5-cp38-cp38-manylinux1_i686.whl", hash = "sha256:1aa846f56c3d49205c952d8318e76ccc2ae23303351d9270ab220004c580cfe2"},
+ {file = "coverage-5.5-cp38-cp38-manylinux1_x86_64.whl", hash = "sha256:24d4a7de75446be83244eabbff746d66b9240ae020ced65d060815fac3423759"},
+ {file = "coverage-5.5-cp38-cp38-manylinux2010_i686.whl", hash = "sha256:d1f8bf7b90ba55699b3a5e44930e93ff0189aa27186e96071fac7dd0d06a1873"},
+ {file = "coverage-5.5-cp38-cp38-manylinux2010_x86_64.whl", hash = "sha256:970284a88b99673ccb2e4e334cfb38a10aab7cd44f7457564d11898a74b62d0a"},
+ {file = "coverage-5.5-cp38-cp38-win32.whl", hash = "sha256:01d84219b5cdbfc8122223b39a954820929497a1cb1422824bb86b07b74594b6"},
+ {file = "coverage-5.5-cp38-cp38-win_amd64.whl", hash = "sha256:2e0d881ad471768bf6e6c2bf905d183543f10098e3b3640fc029509530091502"},
+ {file = "coverage-5.5-cp39-cp39-macosx_10_9_x86_64.whl", hash = "sha256:d1f9ce122f83b2305592c11d64f181b87153fc2c2bbd3bb4a3dde8303cfb1a6b"},
+ {file = "coverage-5.5-cp39-cp39-manylinux1_i686.whl", hash = "sha256:13c4ee887eca0f4c5a247b75398d4114c37882658300e153113dafb1d76de529"},
+ {file = "coverage-5.5-cp39-cp39-manylinux1_x86_64.whl", hash = "sha256:52596d3d0e8bdf3af43db3e9ba8dcdaac724ba7b5ca3f6358529d56f7a166f8b"},
+ {file = "coverage-5.5-cp39-cp39-manylinux2010_i686.whl", hash = "sha256:2cafbbb3af0733db200c9b5f798d18953b1a304d3f86a938367de1567f4b5bff"},
+ {file = "coverage-5.5-cp39-cp39-manylinux2010_x86_64.whl", hash = "sha256:44d654437b8ddd9eee7d1eaee28b7219bec228520ff809af170488fd2fed3e2b"},
+ {file = "coverage-5.5-cp39-cp39-win32.whl", hash = "sha256:d314ed732c25d29775e84a960c3c60808b682c08d86602ec2c3008e1202e3bb6"},
+ {file = "coverage-5.5-cp39-cp39-win_amd64.whl", hash = "sha256:13034c4409db851670bc9acd836243aeee299949bd5673e11844befcb0149f03"},
+ {file = "coverage-5.5-pp36-none-any.whl", hash = "sha256:f030f8873312a16414c0d8e1a1ddff2d3235655a2174e3648b4fa66b3f2f1079"},
+ {file = "coverage-5.5-pp37-none-any.whl", hash = "sha256:2a3859cb82dcbda1cfd3e6f71c27081d18aa251d20a17d87d26d4cd216fb0af4"},
+ {file = "coverage-5.5.tar.gz", hash = "sha256:ebe78fe9a0e874362175b02371bdfbee64d8edc42a044253ddf4ee7d3c15212c"},
]
cython = [
- {file = "Cython-0.29.21-cp27-cp27m-macosx_10_9_x86_64.whl", hash = "sha256:c541b2b49c6638f2b5beb9316726db84a8d1c132bf31b942dae1f9c7f6ad3b92"},
- {file = "Cython-0.29.21-cp27-cp27m-manylinux1_i686.whl", hash = "sha256:b8d8497091c1dc8705d1575c71e908a93b1f127a174b2d472020f3d84263ac28"},
- {file = "Cython-0.29.21-cp27-cp27m-manylinux1_x86_64.whl", hash = "sha256:695a6bcaf9e12b1e471dfce96bbecf22a1487adc2ac6106b15960a2b51b97f5d"},
- {file = "Cython-0.29.21-cp27-cp27m-win32.whl", hash = "sha256:171b9f70ceafcec5852089d0f9c1e75b0d554f46c882cd4e2e4acaba9bd7d148"},
- {file = "Cython-0.29.21-cp27-cp27m-win_amd64.whl", hash = "sha256:539e59949aab4955c143a468810123bf22d3e8556421e1ce2531ed4893914ca0"},
- {file = "Cython-0.29.21-cp27-cp27mu-manylinux1_i686.whl", hash = "sha256:e93acd1f603a0c1786e0841f066ae7cef014cf4750e3cd06fd03cfdf46361419"},
- {file = "Cython-0.29.21-cp27-cp27mu-manylinux1_x86_64.whl", hash = "sha256:2922e3031ba9ebbe7cb9200b585cc33b71d66023d78450dcb883f824f4969371"},
- {file = "Cython-0.29.21-cp34-cp34m-manylinux1_i686.whl", hash = "sha256:497841897942f734b0abc2dead2d4009795ee992267a70a23485fd0e937edc0b"},
- {file = "Cython-0.29.21-cp34-cp34m-manylinux1_x86_64.whl", hash = "sha256:0ac10bf476476a9f7ef61ec6e44c280ef434473124ad31d3132b720f7b0e8d2a"},
- {file = "Cython-0.29.21-cp34-cp34m-win32.whl", hash = "sha256:31c71a615f38401b0dc1f2a5a9a6c421ffd8908c4cd5bbedc4014c1b876488e8"},
- {file = "Cython-0.29.21-cp34-cp34m-win_amd64.whl", hash = "sha256:c4b78356074fcaac04ecb4de289f11d506e438859877670992ece11f9c90f37b"},
- {file = "Cython-0.29.21-cp35-cp35m-macosx_10_6_intel.whl", hash = "sha256:b2f9172e4d6358f33ecce6a4339b5960f9f83eab67ea244baa812737793826b7"},
- {file = "Cython-0.29.21-cp35-cp35m-manylinux1_i686.whl", hash = "sha256:856c7fb31d247ce713d60116375e1f8153d0291ab5e92cca7d8833a524ba9991"},
- {file = "Cython-0.29.21-cp35-cp35m-manylinux1_x86_64.whl", hash = "sha256:715294cd2246b39a8edca464a8366eb635f17213e4a6b9e74e52d8b877a8cb63"},
- {file = "Cython-0.29.21-cp35-cp35m-win32.whl", hash = "sha256:23f3a00b843a19de8bb4468b087db5b413a903213f67188729782488d67040e0"},
- {file = "Cython-0.29.21-cp35-cp35m-win_amd64.whl", hash = "sha256:ccb77faeaad99e99c6c444d04862c6cf604204fe0a07d4c8f9cbf2c9012d7d5a"},
- {file = "Cython-0.29.21-cp36-cp36m-macosx_10_9_x86_64.whl", hash = "sha256:e272ed97d20b026f4f25a012b25d7d7672a60e4f72b9ca385239d693cd91b2d5"},
- {file = "Cython-0.29.21-cp36-cp36m-manylinux1_i686.whl", hash = "sha256:8c6e25e9cc4961bb2abb1777c6fa9d0fa2d9b014beb3276cebe69996ff162b78"},
- {file = "Cython-0.29.21-cp36-cp36m-manylinux1_x86_64.whl", hash = "sha256:57ead89128dee9609119c93d3926c7a2add451453063147900408a50144598c6"},
- {file = "Cython-0.29.21-cp36-cp36m-win32.whl", hash = "sha256:0e25c209c75df8785480dcef85db3d36c165dbc0f4c503168e8763eb735704f2"},
- {file = "Cython-0.29.21-cp36-cp36m-win_amd64.whl", hash = "sha256:a0674f246ad5e1571ef29d4c5ec1d6ecabe9e6c424ad0d6fee46b914d5d24d69"},
- {file = "Cython-0.29.21-cp37-cp37m-macosx_10_9_x86_64.whl", hash = "sha256:5da187bebe38030325e1c0b5b8a804d489410be2d384c0ef3ba39493c67eb51e"},
- {file = "Cython-0.29.21-cp37-cp37m-manylinux1_i686.whl", hash = "sha256:9ce5e5209f8406ffc2b058b1293cce7a954911bb7991e623564d489197c9ba30"},
- {file = "Cython-0.29.21-cp37-cp37m-manylinux1_x86_64.whl", hash = "sha256:5e545a48f919e40079b0efe7b0e081c74b96f9ef25b9c1ff4cdbd95764426b58"},
- {file = "Cython-0.29.21-cp37-cp37m-win32.whl", hash = "sha256:c8435959321cf8aec867bbad54b83b7fb8343204b530d85d9ea7a1f5329d5ac2"},
- {file = "Cython-0.29.21-cp37-cp37m-win_amd64.whl", hash = "sha256:540b3bee0711aac2e99bda4fa0a46dbcd8c74941666bfc1ef9236b1a64eeffd9"},
- {file = "Cython-0.29.21-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:93f5fed1c9445fb7afe20450cdaf94b0e0356d47cc75008105be89c6a2e417b1"},
- {file = "Cython-0.29.21-cp38-cp38-manylinux1_i686.whl", hash = "sha256:9207fdedc7e789a3dcaca628176b80c82fbed9ae0997210738cbb12536a56699"},
- {file = "Cython-0.29.21-cp38-cp38-manylinux1_x86_64.whl", hash = "sha256:603b9f1b8e93e8b494d3e89320c410679e21018e48b6cbc77280f5db71f17dc0"},
- {file = "Cython-0.29.21-cp38-cp38-win32.whl", hash = "sha256:473df5d5e400444a36ed81c6596f56a5b52a3481312d0a48d68b777790f730ae"},
- {file = "Cython-0.29.21-cp38-cp38-win_amd64.whl", hash = "sha256:b8a8a31b9e8860634adbca30fea1d0c7f08e208b3d7611f3e580e5f20992e5d7"},
- {file = "Cython-0.29.21-py2.py3-none-any.whl", hash = "sha256:5c4276fdcbccdf1e3c1756c7aeb8395e9a36874fa4d30860e7694f43d325ae13"},
- {file = "Cython-0.29.21.tar.gz", hash = "sha256:e57acb89bd55943c8d8bf813763d20b9099cc7165c0f16b707631a7654be9cad"},
+ {file = "Cython-0.29.22-cp27-cp27m-manylinux1_i686.whl", hash = "sha256:f89c19480d137026f04a34cbd54ab0fb328b29005c91d3a36d06b9c4710152c1"},
+ {file = "Cython-0.29.22-cp27-cp27m-manylinux1_x86_64.whl", hash = "sha256:667b169c89c4b8eb79d35822508ed8d77b9421af085142fad20bfef775a295d2"},
+ {file = "Cython-0.29.22-cp27-cp27m-win32.whl", hash = "sha256:59c950513c485f1e8da0e04a2a91f71508c5e98b6912ce66588c6aee72d8e4d1"},
+ {file = "Cython-0.29.22-cp27-cp27m-win_amd64.whl", hash = "sha256:15b2ba47858d7949a036d4ba6e838120bf3c06983769e99d12867a2c8cd0cd91"},
+ {file = "Cython-0.29.22-cp27-cp27mu-manylinux1_i686.whl", hash = "sha256:d76feb00f754d86e6d48f39b59a4e9a8fcfed1e6e3e433d18e3677ff19ff2911"},
+ {file = "Cython-0.29.22-cp27-cp27mu-manylinux1_x86_64.whl", hash = "sha256:e8c84ad389b3f36433e1be88dd7a1e36db4ab5b4848f5899cbd0a1cdc443b925"},
+ {file = "Cython-0.29.22-cp34-cp34m-win32.whl", hash = "sha256:105d813eedf276588a02a240ece2f7bca8235aee9bb48e25293410c3c1ac7230"},
+ {file = "Cython-0.29.22-cp34-cp34m-win_amd64.whl", hash = "sha256:af646d37e23fc3ba217c587096fac4e57006d8173d2a2365763287071e0eec2d"},
+ {file = "Cython-0.29.22-cp35-cp35m-manylinux1_i686.whl", hash = "sha256:d73a4851d1dbdcc70e619ccb104877d5e523d0fc5aef6fb6fbba4344c1f60cae"},
+ {file = "Cython-0.29.22-cp35-cp35m-manylinux1_x86_64.whl", hash = "sha256:88bebb8803adac0b64426fd261752925e8bf301b1986078e9506670bcbb5307f"},
+ {file = "Cython-0.29.22-cp35-cp35m-win32.whl", hash = "sha256:7265abb33f154663a052c47213b978ec703f89a938bca38f425f25d4e8ba2211"},
+ {file = "Cython-0.29.22-cp35-cp35m-win_amd64.whl", hash = "sha256:f7064df99094b4fd09c9ebcca6c94a652fac04c7dce514a4f2ab6ce23fcd0ba4"},
+ {file = "Cython-0.29.22-cp36-cp36m-macosx_10_9_x86_64.whl", hash = "sha256:97511722515b66851d3f77d64b1970a97e5114c4007efd5a0a307936e156a24c"},
+ {file = "Cython-0.29.22-cp36-cp36m-manylinux1_i686.whl", hash = "sha256:ab4c34d8693a62f1b8261a131784a3db397ceaa03ea90a5799574623acaa2c2c"},
+ {file = "Cython-0.29.22-cp36-cp36m-manylinux1_x86_64.whl", hash = "sha256:6609babc68d37bb92a1b85ebd867405f720aeb2a6af946f6bd7f71b22dbb91cf"},
+ {file = "Cython-0.29.22-cp36-cp36m-win32.whl", hash = "sha256:40a87c9ecd0b1b485804c70b16427e88bd07bff9f270d022d872869ff4d6ac6e"},
+ {file = "Cython-0.29.22-cp36-cp36m-win_amd64.whl", hash = "sha256:ba7f34e07ca0d1ce4ba8d9e3da6d2eb0b1ac6cb9896d2c821b28a9ac9504bcfe"},
+ {file = "Cython-0.29.22-cp37-cp37m-macosx_10_9_x86_64.whl", hash = "sha256:a8aee32da407f215652959fc6568277cfd35a24714a5238c8a9778bf34d91ace"},
+ {file = "Cython-0.29.22-cp37-cp37m-manylinux1_i686.whl", hash = "sha256:92c028e0d4ac9e32b2cf6c970f7f6c5c3aaa87f011798201ef56746705a8f01a"},
+ {file = "Cython-0.29.22-cp37-cp37m-manylinux1_x86_64.whl", hash = "sha256:c4f2c8cceffd8403468b542570826174564fe2c6549dd199a75c13720add4981"},
+ {file = "Cython-0.29.22-cp37-cp37m-win32.whl", hash = "sha256:761b965b5abcea072ba642dbb740e44532bc88618f34b605c05de1d6088b1cdd"},
+ {file = "Cython-0.29.22-cp37-cp37m-win_amd64.whl", hash = "sha256:a6f5bf7fece95dd62ba13a9edb7d3ecc1a9097e6f0fde78c5fad763163157472"},
+ {file = "Cython-0.29.22-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:bbc48be45ee9eba2d0268bf616220cfb46d998ad85524f3cf752d55eb6dd3379"},
+ {file = "Cython-0.29.22-cp38-cp38-manylinux1_i686.whl", hash = "sha256:3ce10572a6b7fd5baa755f11cdf09830ae518e6f837aa38c31ec534b1f874fd4"},
+ {file = "Cython-0.29.22-cp38-cp38-manylinux1_x86_64.whl", hash = "sha256:b53c9d7b545c70f462408000affdd330cb87d05f83a58a9ccd72d19c8df80d56"},
+ {file = "Cython-0.29.22-cp38-cp38-win32.whl", hash = "sha256:fedecbd2ad6535e30dd3b43ca9b493a1930d5167257a3fb60687bd425f6fdc54"},
+ {file = "Cython-0.29.22-cp38-cp38-win_amd64.whl", hash = "sha256:182e78d75515e3d50f31cfde501fbf2af7ee0698e8149f41048db5d3c98ffc8f"},
+ {file = "Cython-0.29.22-cp39-cp39-manylinux1_i686.whl", hash = "sha256:5cc5e72a106d7abc12b6e58883c914bce0b2031df6035014094a15593052db12"},
+ {file = "Cython-0.29.22-cp39-cp39-manylinux1_x86_64.whl", hash = "sha256:dc42b78b62815abea19a37d186011cca57f72ec509f56fa6c43a71b2e8c6a24f"},
+ {file = "Cython-0.29.22-py2.py3-none-any.whl", hash = "sha256:f5f57b2e13cc3aa95526145ffa551df529f04bf5d137c59350e7accff9362dc0"},
+ {file = "Cython-0.29.22.tar.gz", hash = "sha256:df6b83c7a6d1d967ea89a2903e4a931377634a297459652e4551734c48195406"},
]
dataclasses = [
{file = "dataclasses-0.8-py3-none-any.whl", hash = "sha256:0201d89fa866f68c8ebd9d08ee6ff50c0b255f8ec63a71c16fda7af82bb887bf"},
@@ -1060,8 +1061,8 @@ imagesize = [
{file = "imagesize-1.2.0.tar.gz", hash = "sha256:b1f6b5a4eab1f73479a50fb79fcf729514a900c341d8503d62a62dbc4127a2b1"},
]
importlib-metadata = [
- {file = "importlib_metadata-3.4.0-py3-none-any.whl", hash = "sha256:ace61d5fc652dc280e7b6b4ff732a9c2d40db2c0f92bc6cb74e07b73d53a1771"},
- {file = "importlib_metadata-3.4.0.tar.gz", hash = "sha256:fa5daa4477a7414ae34e95942e4dd07f62adf589143c875c133c1e53c4eff38d"},
+ {file = "importlib_metadata-3.7.3-py3-none-any.whl", hash = "sha256:b74159469b464a99cb8cc3e21973e4d96e05d3024d337313fedb618a6e86e6f4"},
+ {file = "importlib_metadata-3.7.3.tar.gz", hash = "sha256:742add720a20d0467df2f444ae41704000f50e1234f46174b51f9c6031a1bd71"},
]
iniconfig = [
{file = "iniconfig-1.1.1-py2.py3-none-any.whl", hash = "sha256:011e24c64b7f47f6ebd835bb12a743f2fbe9a26d4cecaa7f53bc4f35ee9da8b3"},
@@ -1241,8 +1242,8 @@ pyflakes = [
{file = "pyflakes-2.2.0.tar.gz", hash = "sha256:35b2d75ee967ea93b55750aa9edbbf72813e06a66ba54438df2cfac9e3c27fc8"},
]
pygments = [
- {file = "Pygments-2.8.0-py3-none-any.whl", hash = "sha256:b21b072d0ccdf29297a82a2363359d99623597b8a265b8081760e4d0f7153c88"},
- {file = "Pygments-2.8.0.tar.gz", hash = "sha256:37a13ba168a02ac54cc5891a42b1caec333e59b66addb7fa633ea8a6d73445c0"},
+ {file = "Pygments-2.8.1-py3-none-any.whl", hash = "sha256:534ef71d539ae97d4c3a4cf7d6f110f214b0e687e92f9cb9d2a3b0d3101289c8"},
+ {file = "Pygments-2.8.1.tar.gz", hash = "sha256:2656e1a6edcdabf4275f9a3640db59fd5de107d88e8663c5d4e9a0fa62f77f94"},
]
pylint = [
{file = "pylint-2.5.3-py3-none-any.whl", hash = "sha256:d0ece7d223fe422088b0e8f13fa0a1e8eb745ebffcb8ed53d3e95394b6101a1c"},
@@ -1309,8 +1310,8 @@ requirements-detector = [
{file = "requirements-detector-0.7.tar.gz", hash = "sha256:0d1e13e61ed243f9c3c86e6cbb19980bcb3a0e0619cde2ec1f3af70fdbee6f7b"},
]
rich = [
- {file = "rich-9.11.0-py3-none-any.whl", hash = "sha256:a8ee22199562278d2f78148cacb2f9460ccac362cd4a40f705505b41daae60e0"},
- {file = "rich-9.11.0.tar.gz", hash = "sha256:f8f08fdac6bd67dc2dd7fe976da702d748487aa9eb5d050c48b2321bc67ed659"},
+ {file = "rich-9.13.0-py3-none-any.whl", hash = "sha256:9004f6449c89abadf689dad6f92393e760b8c3a8a8c4ea6d8d474066307c0e66"},
+ {file = "rich-9.13.0.tar.gz", hash = "sha256:d59e94a0e3e686f0d268fe5c7060baa1bd6744abca71b45351f5850a3aaa6764"},
]
rstcheck = [
{file = "rstcheck-3.3.1.tar.gz", hash = "sha256:92c4f79256a54270e0402ba16a2f92d0b3c15c8f4410cb9c57127067c215741f"},
@@ -1385,8 +1386,8 @@ snowballstemmer = [
{file = "snowballstemmer-2.1.0.tar.gz", hash = "sha256:e997baa4f2e9139951b6f4c631bad912dfd3c792467e2f03d7239464af90e914"},
]
sphinx = [
- {file = "Sphinx-3.5.1-py3-none-any.whl", hash = "sha256:e90161222e4d80ce5fc811ace7c6787a226b4f5951545f7f42acf97277bfc35c"},
- {file = "Sphinx-3.5.1.tar.gz", hash = "sha256:11d521e787d9372c289472513d807277caafb1684b33eb4f08f7574c405893a9"},
+ {file = "Sphinx-3.5.2-py3-none-any.whl", hash = "sha256:ef64a814576f46ec7de06adf11b433a0d6049be007fefe7fd0d183d28b581fac"},
+ {file = "Sphinx-3.5.2.tar.gz", hash = "sha256:672cfcc24b6b69235c97c750cb190a44ecd72696b4452acaf75c2d9cc78ca5ff"},
]
sphinx-autoapi = [
{file = "sphinx-autoapi-1.7.0.tar.gz", hash = "sha256:48caa054a99c21156e9a1d26559281dc27f86ab8ef8bb6ef160f8cd9f4a0053d"},
@@ -1470,8 +1471,8 @@ unidecode = [
{file = "Unidecode-1.2.0.tar.gz", hash = "sha256:8d73a97d387a956922344f6b74243c2c6771594659778744b2dbdaad8f6b727d"},
]
urllib3 = [
- {file = "urllib3-1.26.3-py2.py3-none-any.whl", hash = "sha256:1b465e494e3e0d8939b50680403e3aedaa2bc434b7d5af64dfd3c958d7f5ae80"},
- {file = "urllib3-1.26.3.tar.gz", hash = "sha256:de3eedaad74a2683334e282005cd8d7f22f4d55fa690a2a1020a416cb0a47e73"},
+ {file = "urllib3-1.26.4-py2.py3-none-any.whl", hash = "sha256:2f4da4594db7e1e110a944bb1b551fdf4e6c136ad42e4234131391e21eb5b0df"},
+ {file = "urllib3-1.26.4.tar.gz", hash = "sha256:e7b021f7241115872f92f43c6508082facffbd1c048e3c6e2bb9c2a157e28937"},
]
vulture = [
{file = "vulture-2.3-py2.py3-none-any.whl", hash = "sha256:f39de5e6f1df1f70c3b50da54f1c8d494159e9ca3d01a9b89eac929600591703"},
@@ -1485,6 +1486,6 @@ yapf = [
{file = "yapf-0.30.0.tar.gz", hash = "sha256:3000abee4c28daebad55da6c85f3cd07b8062ce48e2e9943c8da1b9667d48427"},
]
zipp = [
- {file = "zipp-3.4.0-py3-none-any.whl", hash = "sha256:102c24ef8f171fd729d46599845e95c7ab894a4cf45f5de11a44cc7444fb1108"},
- {file = "zipp-3.4.0.tar.gz", hash = "sha256:ed5eee1974372595f9e416cc7bbeeb12335201d8081ca8a0743c954d4446e5cb"},
+ {file = "zipp-3.4.1-py3-none-any.whl", hash = "sha256:51cb66cc54621609dd593d1787f286ee42a5c0adbb4b29abea5a63edc3e03098"},
+ {file = "zipp-3.4.1.tar.gz", hash = "sha256:3607921face881ba3e026887d8150cca609d517579abe052ac81fc5aeffdbd76"},
]
diff --git a/pyproject.toml b/pyproject.toml
index 52fe41c..e038d98 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -33,6 +33,7 @@ numpy = [
{ version = "^1.20.0", python = ">=3.7" } # But 1.20 should resolve issue with MDTraj on macOS
]
cython = "^0.29.21"
+astunparse = "1.6.2" # See https://github.com/mdtraj/mdtraj/issues/1613
mdtraj = "^1.9.5"
rich = "^9.2.0"
mdplus = { git = "https://bitbucket.org/claughton/mdplus.git" }
--
GitLab