From d835dff8503055489068d6a21b02f1de5b7570fe Mon Sep 17 00:00:00 2001 From: James Graham Date: Sat, 14 Aug 2021 22:02:13 +0100 Subject: [PATCH] build: disallow mdtraj version 1.9.6 A bugfix in this version introduced another bug which prevented reading GRO files with non-standard residue names --- poetry.lock | 2 +- pyproject.toml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/poetry.lock b/poetry.lock index 83b81f6..7e59ca5 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1030,7 +1030,7 @@ docs = ["Sphinx", "sphinx-autoapi", "sphinx-rtd-theme", "myst-parser"] [metadata] lock-version = "1.1" python-versions = "^3.6" -content-hash = "c5d9c3b58fa8b5eba2a06b73e25cb08fdeccb866cb95b2280dde281a1d831de7" +content-hash = "6ae1d63995f0075522493c6bfc1ed82b3cbeaa9d514066e0df712ce98e7cbeeb" [metadata.files] alabaster = [ diff --git a/pyproject.toml b/pyproject.toml index 8a6ee0b..ef15c9b 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -34,7 +34,7 @@ numpy = [ ] cython = "^0.29.21" astunparse = "1.6.2" # See https://github.com/mdtraj/mdtraj/issues/1613 -mdtraj = "^1.9.5" +mdtraj = "^1.9.5, !=1.9.6" rich = "^9.2.0" mdplus = { version = "^0.0.5", optional = true }