From 740c48679838e49a153dc502abfd7135812a0293 Mon Sep 17 00:00:00 2001 From: Colton Hicks Date: Tue, 9 Apr 2024 21:24:58 -0700 Subject: [PATCH 1/3] Added typing_extensions to dependencies. --- pyproject.toml | 1 + 1 file changed, 1 insertion(+) diff --git a/pyproject.toml b/pyproject.toml index 2103c66..183057f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -27,6 +27,7 @@ requires-python = ">=3.7" dependencies = [ "cffi", "numpy", + "typing_extensions", ] optional-dependencies.ase = ["ase"] optional-dependencies.qcschema = ["qcelemental"] From 95f2c198f584ad323a5fe60b19261a1dd55c08df Mon Sep 17 00:00:00 2001 From: Howard Pritchard Date: Thu, 6 Jun 2024 14:23:20 -0700 Subject: [PATCH 2/3] xtb-python: patch meson build file (#114) At least with meson 1.3.2 one has to set pure to false for find installation or else build fails. Signed-off-by: Howard Pritchard --- meson.build | 1 + 1 file changed, 1 insertion(+) diff --git a/meson.build b/meson.build index 11703c8..83cc604 100644 --- a/meson.build +++ b/meson.build @@ -46,6 +46,7 @@ python = pymod.find_installation( modules: [ 'cffi', ], + pure: false, ) python_dep = python.dependency(required: true) From 4209fa1e87924165821354ab4856b527a8c675fc Mon Sep 17 00:00:00 2001 From: Colton Hicks Date: Thu, 4 Jul 2024 22:51:53 -0700 Subject: [PATCH 3/3] Fixed incorrect hard coded version in __init.__py. Removed superfluous check for third party dependency package. This dependency is correctly specified in pyproject.toml. (#109) --- xtb/__init__.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/xtb/__init__.py b/xtb/__init__.py index 162de55..e6aa42a 100644 --- a/xtb/__init__.py +++ b/xtb/__init__.py @@ -16,8 +16,7 @@ # along with xtb. If not, see . """Python API of the extended tight binding program package""" -# make sure we have a CFFI available -import cffi +from importlib import metadata -__version__ = "20.2" +__version__ = metadata.version(__name__) API_VERSION = "1.0.0"