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Verified Commit 65d1b348 authored by James Graham's avatar James Graham
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build: downgrade astunparse due to MDTraj issue 

Version 1.6.3 prevents MDTraj atom selection from working correctly
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...@@ -22,7 +22,7 @@ wrapt = ">=1.11,<2.0" ...@@ -22,7 +22,7 @@ wrapt = ">=1.11,<2.0"
[[package]] [[package]]
name = "astunparse" name = "astunparse"
version = "1.6.3" version = "1.6.2"
description = "An AST unparser for Python" description = "An AST unparser for Python"
category = "main" category = "main"
optional = false optional = false
...@@ -101,7 +101,7 @@ test = ["flake8 (==3.7.8)", "hypothesis (==3.55.3)"] ...@@ -101,7 +101,7 @@ test = ["flake8 (==3.7.8)", "hypothesis (==3.55.3)"]
[[package]] [[package]]
name = "coverage" name = "coverage"
version = "5.4" version = "5.5"
description = "Code coverage measurement for Python" description = "Code coverage measurement for Python"
category = "dev" category = "dev"
optional = false optional = false
...@@ -112,7 +112,7 @@ toml = ["toml"] ...@@ -112,7 +112,7 @@ toml = ["toml"]
[[package]] [[package]]
name = "cython" name = "cython"
version = "0.29.21" version = "0.29.22"
description = "The Cython compiler for writing C extensions for the Python language." description = "The Cython compiler for writing C extensions for the Python language."
category = "main" category = "main"
optional = false optional = false
...@@ -185,7 +185,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" ...@@ -185,7 +185,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
[[package]] [[package]]
name = "importlib-metadata" name = "importlib-metadata"
version = "3.4.0" version = "3.7.3"
description = "Read metadata from Python packages" description = "Read metadata from Python packages"
category = "dev" category = "dev"
optional = false optional = false
...@@ -269,7 +269,7 @@ python-versions = "*" ...@@ -269,7 +269,7 @@ python-versions = "*"
[[package]] [[package]]
name = "mdplus" name = "mdplus"
version = "0.0.4" version = "0.0.5"
description = "Tools for molecular dynamics simulation setup and analysis." description = "Tools for molecular dynamics simulation setup and analysis."
category = "main" category = "main"
optional = false optional = false
...@@ -284,7 +284,7 @@ scipy = "*" ...@@ -284,7 +284,7 @@ scipy = "*"
type = "git" type = "git"
url = "https://bitbucket.org/claughton/mdplus.git" url = "https://bitbucket.org/claughton/mdplus.git"
reference = "master" reference = "master"
resolved_reference = "acd94bb4988011f37724bdbd9f63e62f83c56c95" resolved_reference = "279d2f07686be0f0e5e15573a53bbebee75c8d27"
[[package]] [[package]]
name = "mdtraj" name = "mdtraj"
...@@ -422,7 +422,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" ...@@ -422,7 +422,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
[[package]] [[package]]
name = "pygments" name = "pygments"
version = "2.8.0" version = "2.8.1"
description = "Pygments is a syntax highlighting package written in Python." description = "Pygments is a syntax highlighting package written in Python."
category = "main" category = "main"
optional = false optional = false
...@@ -586,7 +586,7 @@ astroid = ">=1.4" ...@@ -586,7 +586,7 @@ astroid = ">=1.4"
[[package]] [[package]]
name = "rich" 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" description = "Render rich text, tables, progress bars, syntax highlighting, markdown and more to the terminal"
category = "main" category = "main"
optional = false optional = false
...@@ -673,7 +673,7 @@ python-versions = "*" ...@@ -673,7 +673,7 @@ python-versions = "*"
[[package]] [[package]]
name = "sphinx" name = "sphinx"
version = "3.5.1" version = "3.5.2"
description = "Python documentation generator" description = "Python documentation generator"
category = "dev" category = "dev"
optional = false optional = false
...@@ -849,16 +849,16 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" ...@@ -849,16 +849,16 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
[[package]] [[package]]
name = "urllib3" name = "urllib3"
version = "1.26.3" version = "1.26.4"
description = "HTTP library with thread-safe connection pooling, file post, and more." description = "HTTP library with thread-safe connection pooling, file post, and more."
category = "dev" category = "dev"
optional = false optional = false
python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, <4" python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, <4"
[package.extras] [package.extras]
brotli = ["brotlipy (>=0.6.0)"]
secure = ["pyOpenSSL (>=0.14)", "cryptography (>=1.3.4)", "idna (>=2.0.0)", "certifi", "ipaddress"] secure = ["pyOpenSSL (>=0.14)", "cryptography (>=1.3.4)", "idna (>=2.0.0)", "certifi", "ipaddress"]
socks = ["PySocks (>=1.5.6,!=1.5.7,<2.0)"] socks = ["PySocks (>=1.5.6,!=1.5.7,<2.0)"]
brotli = ["brotlipy (>=0.6.0)"]
[[package]] [[package]]
name = "vulture" name = "vulture"
...@@ -889,20 +889,20 @@ python-versions = "*" ...@@ -889,20 +889,20 @@ python-versions = "*"
[[package]] [[package]]
name = "zipp" name = "zipp"
version = "3.4.0" version = "3.4.1"
description = "Backport of pathlib-compatible object wrapper for zip files" description = "Backport of pathlib-compatible object wrapper for zip files"
category = "dev" category = "dev"
optional = false optional = false
python-versions = ">=3.6" python-versions = ">=3.6"
[package.extras] [package.extras]
docs = ["sphinx", "jaraco.packaging (>=3.2)", "rst.linker (>=1.9)"] docs = ["sphinx", "jaraco.packaging (>=8.2)", "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"] 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] [metadata]
lock-version = "1.1" lock-version = "1.1"
python-versions = "^3.6" python-versions = "^3.6"
content-hash = "cb58621a19006e715ec04d35c426637d55b88df8478cb043bebcaea8ef2cbcc5" content-hash = "1c426d5fdb40b4313cd1074500745074a1798a9f7409762e6cb14b7d9c750a54"
[metadata.files] [metadata.files]
alabaster = [ alabaster = [
...@@ -914,8 +914,8 @@ astroid = [ ...@@ -914,8 +914,8 @@ astroid = [
{file = "astroid-2.4.1.tar.gz", hash = "sha256:4c17cea3e592c21b6e222f673868961bad77e1f985cb1694ed077475a89229c1"}, {file = "astroid-2.4.1.tar.gz", hash = "sha256:4c17cea3e592c21b6e222f673868961bad77e1f985cb1694ed077475a89229c1"},
] ]
astunparse = [ astunparse = [
{file = "astunparse-1.6.3-py2.py3-none-any.whl", hash = "sha256:c2652417f2c8b5bb325c885ae329bdf3f86424075c4fd1a128674bc6fba4b8e8"}, {file = "astunparse-1.6.2-py2.py3-none-any.whl", hash = "sha256:271fb1f3d7a2e3c66eab41000298860f046253d22ec96e4f024cfaf266805a8e"},
{file = "astunparse-1.6.3.tar.gz", hash = "sha256:5ad93a8456f0d084c3456d059fd9a92cce667963232cbf763eac3bc5b7940872"}, {file = "astunparse-1.6.2.tar.gz", hash = "sha256:dab3e426715373fd76cd08bb1abe64b550f5aa494cf1e32384f26fd60961eb67"},
] ]
atomicwrites = [ atomicwrites = [
{file = "atomicwrites-1.4.0-py2.py3-none-any.whl", hash = "sha256:6d1784dea7c0c8d4a5172b6c620f40b6e4cbfdf96d783691f2e1302a7b88e197"}, {file = "atomicwrites-1.4.0-py2.py3-none-any.whl", hash = "sha256:6d1784dea7c0c8d4a5172b6c620f40b6e4cbfdf96d783691f2e1302a7b88e197"},
...@@ -946,90 +946,91 @@ commonmark = [ ...@@ -946,90 +946,91 @@ commonmark = [
{file = "commonmark-0.9.1.tar.gz", hash = "sha256:452f9dc859be7f06631ddcb328b6919c67984aca654e5fefb3914d54691aed60"}, {file = "commonmark-0.9.1.tar.gz", hash = "sha256:452f9dc859be7f06631ddcb328b6919c67984aca654e5fefb3914d54691aed60"},
] ]
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...@@ -1060,8 +1061,8 @@ imagesize = [ ...@@ -1060,8 +1061,8 @@ imagesize = [
{file = "imagesize-1.2.0.tar.gz", hash = "sha256:b1f6b5a4eab1f73479a50fb79fcf729514a900c341d8503d62a62dbc4127a2b1"}, {file = "imagesize-1.2.0.tar.gz", hash = "sha256:b1f6b5a4eab1f73479a50fb79fcf729514a900c341d8503d62a62dbc4127a2b1"},
] ]
importlib-metadata = [ importlib-metadata = [
{file = "importlib_metadata-3.4.0-py3-none-any.whl", hash = "sha256:ace61d5fc652dc280e7b6b4ff732a9c2d40db2c0f92bc6cb74e07b73d53a1771"}, {file = "importlib_metadata-3.7.3-py3-none-any.whl", hash = "sha256:b74159469b464a99cb8cc3e21973e4d96e05d3024d337313fedb618a6e86e6f4"},
{file = "importlib_metadata-3.4.0.tar.gz", hash = "sha256:fa5daa4477a7414ae34e95942e4dd07f62adf589143c875c133c1e53c4eff38d"}, {file = "importlib_metadata-3.7.3.tar.gz", hash = "sha256:742add720a20d0467df2f444ae41704000f50e1234f46174b51f9c6031a1bd71"},
] ]
iniconfig = [ iniconfig = [
{file = "iniconfig-1.1.1-py2.py3-none-any.whl", hash = "sha256:011e24c64b7f47f6ebd835bb12a743f2fbe9a26d4cecaa7f53bc4f35ee9da8b3"}, {file = "iniconfig-1.1.1-py2.py3-none-any.whl", hash = "sha256:011e24c64b7f47f6ebd835bb12a743f2fbe9a26d4cecaa7f53bc4f35ee9da8b3"},
...@@ -1241,8 +1242,8 @@ pyflakes = [ ...@@ -1241,8 +1242,8 @@ pyflakes = [
{file = "pyflakes-2.2.0.tar.gz", hash = "sha256:35b2d75ee967ea93b55750aa9edbbf72813e06a66ba54438df2cfac9e3c27fc8"}, {file = "pyflakes-2.2.0.tar.gz", hash = "sha256:35b2d75ee967ea93b55750aa9edbbf72813e06a66ba54438df2cfac9e3c27fc8"},
] ]
pygments = [ pygments = [
{file = "Pygments-2.8.0-py3-none-any.whl", hash = "sha256:b21b072d0ccdf29297a82a2363359d99623597b8a265b8081760e4d0f7153c88"}, {file = "Pygments-2.8.1-py3-none-any.whl", hash = "sha256:534ef71d539ae97d4c3a4cf7d6f110f214b0e687e92f9cb9d2a3b0d3101289c8"},
{file = "Pygments-2.8.0.tar.gz", hash = "sha256:37a13ba168a02ac54cc5891a42b1caec333e59b66addb7fa633ea8a6d73445c0"}, {file = "Pygments-2.8.1.tar.gz", hash = "sha256:2656e1a6edcdabf4275f9a3640db59fd5de107d88e8663c5d4e9a0fa62f77f94"},
] ]
pylint = [ pylint = [
{file = "pylint-2.5.3-py3-none-any.whl", hash = "sha256:d0ece7d223fe422088b0e8f13fa0a1e8eb745ebffcb8ed53d3e95394b6101a1c"}, {file = "pylint-2.5.3-py3-none-any.whl", hash = "sha256:d0ece7d223fe422088b0e8f13fa0a1e8eb745ebffcb8ed53d3e95394b6101a1c"},
...@@ -1309,8 +1310,8 @@ requirements-detector = [ ...@@ -1309,8 +1310,8 @@ requirements-detector = [
{file = "requirements-detector-0.7.tar.gz", hash = "sha256:0d1e13e61ed243f9c3c86e6cbb19980bcb3a0e0619cde2ec1f3af70fdbee6f7b"}, {file = "requirements-detector-0.7.tar.gz", hash = "sha256:0d1e13e61ed243f9c3c86e6cbb19980bcb3a0e0619cde2ec1f3af70fdbee6f7b"},
] ]
rich = [ rich = [
{file = "rich-9.11.0-py3-none-any.whl", hash = "sha256:a8ee22199562278d2f78148cacb2f9460ccac362cd4a40f705505b41daae60e0"}, {file = "rich-9.13.0-py3-none-any.whl", hash = "sha256:9004f6449c89abadf689dad6f92393e760b8c3a8a8c4ea6d8d474066307c0e66"},
{file = "rich-9.11.0.tar.gz", hash = "sha256:f8f08fdac6bd67dc2dd7fe976da702d748487aa9eb5d050c48b2321bc67ed659"}, {file = "rich-9.13.0.tar.gz", hash = "sha256:d59e94a0e3e686f0d268fe5c7060baa1bd6744abca71b45351f5850a3aaa6764"},
] ]
rstcheck = [ rstcheck = [
{file = "rstcheck-3.3.1.tar.gz", hash = "sha256:92c4f79256a54270e0402ba16a2f92d0b3c15c8f4410cb9c57127067c215741f"}, {file = "rstcheck-3.3.1.tar.gz", hash = "sha256:92c4f79256a54270e0402ba16a2f92d0b3c15c8f4410cb9c57127067c215741f"},
...@@ -1385,8 +1386,8 @@ snowballstemmer = [ ...@@ -1385,8 +1386,8 @@ snowballstemmer = [
{file = "snowballstemmer-2.1.0.tar.gz", hash = "sha256:e997baa4f2e9139951b6f4c631bad912dfd3c792467e2f03d7239464af90e914"}, {file = "snowballstemmer-2.1.0.tar.gz", hash = "sha256:e997baa4f2e9139951b6f4c631bad912dfd3c792467e2f03d7239464af90e914"},
] ]
sphinx = [ sphinx = [
{file = "Sphinx-3.5.1-py3-none-any.whl", hash = "sha256:e90161222e4d80ce5fc811ace7c6787a226b4f5951545f7f42acf97277bfc35c"}, {file = "Sphinx-3.5.2-py3-none-any.whl", hash = "sha256:ef64a814576f46ec7de06adf11b433a0d6049be007fefe7fd0d183d28b581fac"},
{file = "Sphinx-3.5.1.tar.gz", hash = "sha256:11d521e787d9372c289472513d807277caafb1684b33eb4f08f7574c405893a9"}, {file = "Sphinx-3.5.2.tar.gz", hash = "sha256:672cfcc24b6b69235c97c750cb190a44ecd72696b4452acaf75c2d9cc78ca5ff"},
] ]
sphinx-autoapi = [ sphinx-autoapi = [
{file = "sphinx-autoapi-1.7.0.tar.gz", hash = "sha256:48caa054a99c21156e9a1d26559281dc27f86ab8ef8bb6ef160f8cd9f4a0053d"}, {file = "sphinx-autoapi-1.7.0.tar.gz", hash = "sha256:48caa054a99c21156e9a1d26559281dc27f86ab8ef8bb6ef160f8cd9f4a0053d"},
...@@ -1470,8 +1471,8 @@ unidecode = [ ...@@ -1470,8 +1471,8 @@ unidecode = [
{file = "Unidecode-1.2.0.tar.gz", hash = "sha256:8d73a97d387a956922344f6b74243c2c6771594659778744b2dbdaad8f6b727d"}, {file = "Unidecode-1.2.0.tar.gz", hash = "sha256:8d73a97d387a956922344f6b74243c2c6771594659778744b2dbdaad8f6b727d"},
] ]
urllib3 = [ urllib3 = [
{file = "urllib3-1.26.3-py2.py3-none-any.whl", hash = "sha256:1b465e494e3e0d8939b50680403e3aedaa2bc434b7d5af64dfd3c958d7f5ae80"}, {file = "urllib3-1.26.4-py2.py3-none-any.whl", hash = "sha256:2f4da4594db7e1e110a944bb1b551fdf4e6c136ad42e4234131391e21eb5b0df"},
{file = "urllib3-1.26.3.tar.gz", hash = "sha256:de3eedaad74a2683334e282005cd8d7f22f4d55fa690a2a1020a416cb0a47e73"}, {file = "urllib3-1.26.4.tar.gz", hash = "sha256:e7b021f7241115872f92f43c6508082facffbd1c048e3c6e2bb9c2a157e28937"},
] ]
vulture = [ vulture = [
{file = "vulture-2.3-py2.py3-none-any.whl", hash = "sha256:f39de5e6f1df1f70c3b50da54f1c8d494159e9ca3d01a9b89eac929600591703"}, {file = "vulture-2.3-py2.py3-none-any.whl", hash = "sha256:f39de5e6f1df1f70c3b50da54f1c8d494159e9ca3d01a9b89eac929600591703"},
...@@ -1485,6 +1486,6 @@ yapf = [ ...@@ -1485,6 +1486,6 @@ yapf = [
{file = "yapf-0.30.0.tar.gz", hash = "sha256:3000abee4c28daebad55da6c85f3cd07b8062ce48e2e9943c8da1b9667d48427"}, {file = "yapf-0.30.0.tar.gz", hash = "sha256:3000abee4c28daebad55da6c85f3cd07b8062ce48e2e9943c8da1b9667d48427"},
] ]
zipp = [ zipp = [
{file = "zipp-3.4.0-py3-none-any.whl", hash = "sha256:102c24ef8f171fd729d46599845e95c7ab894a4cf45f5de11a44cc7444fb1108"}, {file = "zipp-3.4.1-py3-none-any.whl", hash = "sha256:51cb66cc54621609dd593d1787f286ee42a5c0adbb4b29abea5a63edc3e03098"},
{file = "zipp-3.4.0.tar.gz", hash = "sha256:ed5eee1974372595f9e416cc7bbeeb12335201d8081ca8a0743c954d4446e5cb"}, {file = "zipp-3.4.1.tar.gz", hash = "sha256:3607921face881ba3e026887d8150cca609d517579abe052ac81fc5aeffdbd76"},
] ]
pyproject.toml
+ 1
− 0
View file @ 65d1b348
...@@ -33,6 +33,7 @@ numpy = [ ...@@ -33,6 +33,7 @@ numpy = [
{ version = "^1.20.0", python = ">=3.7" } # But 1.20 should resolve issue with MDTraj on macOS { version = "^1.20.0", python = ">=3.7" } # But 1.20 should resolve issue with MDTraj on macOS
] ]
cython = "^0.29.21" cython = "^0.29.21"
astunparse = "1.6.2" # See https://github.com/mdtraj/mdtraj/issues/1613
mdtraj = "^1.9.5" mdtraj = "^1.9.5"
rich = "^9.2.0" rich = "^9.2.0"
mdplus = { git = "https://bitbucket.org/claughton/mdplus.git" } mdplus = { git = "https://bitbucket.org/claughton/mdplus.git" }
......
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