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18 Commits

Author SHA1 Message Date
Axel Kohlmeyer ab48b834f7
refactor python module wheel building and installation to be less prone to race conditions 2023-03-24 17:43:52 -04:00
Axel Kohlmeyer 146fb30d9d
fix up a non-standard location 2022-10-20 20:51:19 -04:00
Axel Kohlmeyer 7a64d1358e
remove unused module 2022-06-14 10:36:11 -04:00
Axel Kohlmeyer 0be14d4ed8
move basename operation from setup.py to install.py 2022-02-27 07:02:39 -05:00
Axel Kohlmeyer 7c11d1675d
fix bug with `make install` 2022-02-27 06:33:22 -05:00
Axel Kohlmeyer ff4cd2a5e9
python2.7 compatibility 2022-02-25 08:43:51 -05:00
Axel Kohlmeyer 4b7731e831
update install.py script to build a wheel and install that 2022-02-25 00:24:16 -05:00
Axel Kohlmeyer 891d3c8296
update setup.py to be compatible with building "pure" and "binary" wheels 2022-02-24 17:04:16 -05:00
Richard Berger 2ed8e5cf02
Use setuptools instead of distutils in setup.py 
distutils will be removed soon (Python 3.12)
 2022-01-26 14:58:28 -05:00
Richard Berger 3f1bbf7c71
Add support for building wheels with pip 2021-06-02 11:46:48 -04:00
Axel Kohlmeyer 09c19a936b
update URLs in source code and manual 2021-05-24 14:18:20 -04:00
Axel Kohlmeyer bddc6d5820
make installation procedure consistent with install.py 2021-04-13 09:58:19 -04:00
Nicholas Lubbers cf3ae8cdd2 switch setuptools back to distutils 2020-12-22 09:59:50 -07:00
Nicholas Lubbers e7fa0a6bac Changes to MLIAP python 
- update lammps python package to use setuptools
- refactor MLIAP classes into lammps python package

lammps.mliap package
- change TorchWrapper to use dtype and device as arguments
- turn activation of mliappy into functions (was a class)
- add a check to see if python interpreter is compatible
  with python lib calls internal to lammps

mliap_model_python_couple.pyx:
- load models ending in '.pt' or '.pth' with pytorch rather than pickle
 2020-12-21 11:51:10 -07:00
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
sjplimp ee7f12334d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8603 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-10 23:22:54 +00:00
sjplimp 5a158918de git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7237 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-11-28 22:42:51 +00:00
sjplimp 453aba29e5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5201 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-11-02 15:07:40 +00:00