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16 Commits

Author SHA1 Message Date
Axel Kohlmeyer
067fd48b57 Merge remote-tracking branch 'github/master' into collected-small-changes 
# Conflicts:
#	python/lammps/__init__.py
#	python/lammps/core.py
 2021-06-04 00:28:32 -04:00
Richard Berger
20ffacaf70 Add exception type 2021-06-01 15:30:28 -04:00
Axel Kohlmeyer
fde2295685 add comments to suppress useless warnings from LGTM 2021-05-31 12:01:50 -04:00
Axel Kohlmeyer
de3a49ac4f silence codeql warnings 2021-05-10 03:48:55 -04:00
Axel Kohlmeyer
c1891dca82 explicitly set vstring to None in case of exceptions 2021-05-09 05:58:20 -04:00
Axel Kohlmeyer
c324d754a0 when installing the LAMMPS python package create a valid version id 2021-04-12 10:51:44 -04:00
Axel Kohlmeyer
38d5798223 must not look for package metadata when using python module from source tree 2021-04-11 21:36:18 -04:00
Richard Berger
b0bc0b9a2f Use time.strptime instead of datetime.strptime 
Embedding the Python interpreter multiple times in the same process can
cause this issue due to import caching. https://bugs.python.org/issue27400
This seems to be avoidable by using the time module instead.
 2021-03-24 17:54:13 -04:00
Axel Kohlmeyer
903433d9dd use datetime module to convert string date to numeric date 2021-02-09 14:22:37 -05:00
Axel Kohlmeyer
62a152e4a2 get version number from package version instead of rewriting the __init__.py file 2021-02-09 14:13:18 -05:00
Axel Kohlmeyer
653c296246 document __version__ module member and version check 2021-02-09 12:29:14 -05:00
Axel Kohlmeyer
b53b993c68 recover in-place usage by defaulting to version 0 and changing it back after installation 2021-02-09 02:12:37 -05:00
Axel Kohlmeyer
7826b58f73 add check to lammps python module to check consistent versions between module and shared library 2021-02-09 00:38:17 -05:00
Richard Berger
33f9a29639 Split core.py into more files 2020-12-15 16:33:21 -05:00
Richard Berger
b390c1e3d3 Split lammps.py into core.py and pylammps.py 2020-12-15 16:15:16 -05:00
Richard Berger
aca2eefce5 Transform LAMMPS Python module into package 
- Moves lammps.py into its own package
- Imports entire module in __init__.py
- Changes both how legacy and CMake build systems install
- Added traditional setup.py for Python-only installation

Note: the CMake install target runs setup.py build and install
in a way that produces files in CMAKE_BINARY_DIR/python instead
of python/build. This is to maintain out-of-source compilation
support.
 2020-12-15 15:11:21 -05:00