Axel Kohlmeyer 11341a5b66 enforce documented Python version requirement for MLIAP with Python

2021-02-10 08:57:14 -05:00

..

etc/profile.d

correct shell profile variables to point to the installation directory

2019-07-26 09:58:18 -04:00

gpu

GPU: clean up part 2

2017-07-18 18:43:51 -06:00

iwyu

update iwyu custom mapping file

2020-09-04 09:41:57 -04:00

Modules

enforce documented Python version requirement for MLIAP with Python

2021-02-10 08:57:14 -05:00

pkgconfig

remove LAMMPS_LIB_SUFFIX variable and use LAMMPS_MACHINE instead.

2020-04-09 10:42:11 -04:00

presets

add preset for use with PGI compilers (tested with version 20.11)

2020-12-15 14:31:40 -05:00

CMakeLists.txt

must purge python/build folder so we don't inherit outdated files

2021-02-09 14:12:43 -05:00

LAMMPSConfig.cmake.in

cmake: fftw is now a private dep

2020-05-15 13:42:51 -06:00