511678017e
update inline docs and add -n/--noinstall flag to skipp installation
2022-02-25 13:44:47 -05:00
033045a534
need to check if virtualenv creation failed and exit with a suitable error message
2022-02-25 13:20:34 -05:00
f0260c3395
restore exception handling with enforce --user install for older pip versions that don't do that automatically
2022-02-25 09:33:26 -05:00
4630a5ffb8
must create virtualenv with same python we selected to run install.py
2022-02-25 08:43:38 -05:00
4b7731e831
update install.py script to build a wheel and install that
2022-02-25 00:24:16 -05:00
fde2295685
add comments to suppress useless warnings from LGTM
2021-05-31 12:01:50 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
c324d754a0
when installing the LAMMPS python package create a valid version id
2021-04-12 10:51:44 -04:00
2dd3b368cd
do not install mliap python support for python 2.x
2021-02-09 20:57:08 -05:00
cf3ae8cdd2
switch setuptools back to distutils
2020-12-22 09:59:50 -07:00
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
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
77e323d28c
prefix option in install.py not needed
2019-03-26 21:55:07 -04:00
0edb82eb5e
update format
2019-03-25 17:14:58 -04:00
b0a741fc58
add support for --prefix to python module installer
2019-03-25 16:51:35 -04:00
0f030acc59
refactoring python module installer script to be (more) platform neutral and compatible with conventional make and CMake builds
2019-03-22 11:59:15 -04:00
c3a95c782b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15039 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 13:53:40 +00:00
a70623ee43
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14592 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 15:30:15 +00:00
79e142b2ca
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-02 19:09:11 +00:00
d91cbdf923
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10063 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-10 15:01:13 +00:00
2e7bd3367f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8672 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-15 19:49:01 +00:00
4486372868
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8670 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-15 14:34:23 +00:00
7487754a4d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8659 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-14 20:20:39 +00:00
7f5e8cb896
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8656 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-14 20:13:20 +00:00
1512b14f98
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8649 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-14 15:40:43 +00:00
