From 392a6ca1b87b99510414342f5a8cec792c8f99d7 Mon Sep 17 00:00:00 2001 From: Enric Date: Sun, 28 Jul 2024 23:13:54 +0200 Subject: [PATCH] Restructured the lib files after pip install --- MANIFEST.in | 7 ++++--- setup.py | 16 +++++++++------- 2 files changed, 13 insertions(+), 10 deletions(-) diff --git a/MANIFEST.in b/MANIFEST.in index 1447021..d297dff 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -4,6 +4,7 @@ include CHANGELOG.rst include requirements.txt # If including data files in the package, add them like: -include inputs/W_Set_PBE_test/*out -include inputs/W_Set_PBE_molfiles/*mol -include utilities/np_IM_test.csv +include pomsimulator/inputs/W_Set_PBE_test/*out +include pomsimulator/inputs/W_Set_PBE_molfiles/*mol +include pomsimulator/utilities/np_IM_test.csv + diff --git a/setup.py b/setup.py index b73f76b..4c3ebb0 100644 --- a/setup.py +++ b/setup.py @@ -12,7 +12,7 @@ setup(name='pomsimulator', - version='1.0.1a10', + version='1.0.1a11', author="Enric Petrus, Jordi Buils. Diego Garay-Ruiz", author_email="enricpz@icloud.com, jbuils@iciq.es, dgaray@iciq.es", description="Simulate the aqueous speciation of polyoxometalates (POMs) from quantum mechanical results", @@ -26,9 +26,11 @@ "Operating System :: OS Independent"], python_requires='>=3.8', include_package_data=True, - package_data={ "inputs": [ # When adding files here, remember to update MANIFEST.in as well, - # or else they will not be included in the distribution on PyPI! - # 'path/to/data_file', - "W_Set_PBE_test/*out", "W_Set_PBE_molfiles/*mol"], - "utilities": ["np_IM_test.csv"]} - ) + package_data={ + "pomsimulator": ["inputs/W_Set_PBE_test/*out", + "inputs/W_Set_PBE_molfiles/*mol", + "utilities/np_IM_test.csv", + "outputs/",]}) +# When adding files here, remember to update MANIFEST.in as well, +# or else they will not be included in the distribution on PyPI! +# 'path/to/data_file',