jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
18,223 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

35 Commits

Author SHA1 Message Date
Axel Kohlmeyer 2b288bc9e0
add missing mode keyword for substitution 2019-07-30 16:53:27 -04:00
Axel Kohlmeyer 882b2301bb
handle shared library extension on macosx for plumed runtime build 2019-07-30 16:48:50 -04:00
Axel Kohlmeyer 7ab7691c51
update PLUMED support to version 2.5.2 2019-07-30 05:57:57 -04:00
Axel Kohlmeyer d59737299c
whitespace cleanup 2019-07-24 16:02:49 -04:00
Axel Kohlmeyer c52a330a79
update USER-PLUMED support for version 2.5.1 and fix bug in Install.py script 2019-04-04 14:19:53 -04:00
Axel Kohlmeyer 265ad4512d
add sanity check on plumed pre-installed path location 2019-04-04 13:18:27 -04:00
Axel Kohlmeyer 1465352454 some cleanups and small bugfixes to conform better with python conventions 2019-01-28 17:37:05 -05:00
Axel Kohlmeyer 4fcfa4987a fix typo 2019-01-28 14:56:47 +01:00
Axel Kohlmeyer 53f600ea35 use enable all available plumed modules when using download/compile mode 2019-01-26 09:55:48 -05:00
Axel Kohlmeyer 53673cd99c fix typo 2019-01-20 16:01:34 -05:00
Axel Kohlmeyer 683f8854c2 a few more Install.py script changes. untested. 2019-01-15 23:02:49 -05:00
Axel Kohlmeyer d01c28002f update plumed support to use newer version of the library 2019-01-14 17:47:36 -05:00
Axel Kohlmeyer c3a15e221d use sys.exit() instead of the removed error() function 2019-01-14 14:13:40 -05:00
Axel Kohlmeyer 8d4bfa1aa7 port plumed and mscg Install.py files to use argparse 2019-01-14 12:52:21 -05:00
Axel Kohlmeyer be721fe75a more Install.py refactoring 2018-12-03 19:47:10 -05:00
Axel Kohlmeyer eda79bd1c2 use shutil.rmtree() instead of calling 'rm -rf' for increased portability 2018-11-28 20:46:50 -05:00
PabloPiaggi 22e774adef Revert "Add --noinstall flag to use the plumed source code directly without issuing make install" 
This reverts commit a4684e2629.

Revert --noinstall flag commit
 2018-11-28 17:37:24 +01:00
Michele Invernizzi 8213287966 detect the number of available CPU for plumed make, as suggested by @akohlmey 2018-11-28 16:09:05 +01:00
PabloPiaggi a4684e2629 Add --noinstall flag to use the plumed source code directly without issuing make install 2018-11-28 15:43:35 +01:00
Michele Invernizzi 3d5423f5da revert back to correct path to Plumed.inc.*. (my fault, I was not doing the 'make install') 2018-11-28 09:18:38 +01:00
Michele Invernizzi 32abe35201 added -j8 option for faster plumed make 2018-11-28 00:08:55 +01:00
Michele Invernizzi c87bdda9a8 fixed wrong path to Plumed.inc.* 2018-11-28 00:08:01 +01:00
Michele Invernizzi 1b50ad02fb fixed uninitialized var homedir 2018-11-28 00:06:50 +01:00
Axel Kohlmeyer 04520e627d add code and scripts to support all three plumed linkage modes with fix plumed for conventional build 2018-11-14 21:26:36 -05:00
Axel Kohlmeyer badfdd7433 download only the plumed-src package and include further tweaks to be compatible with plumed 2.5b 2018-11-03 00:21:10 -04:00
Axel Kohlmeyer 54c52c3bdf adjust compilation settings to link in plumed library statically and all its dependencies 2018-11-02 22:52:36 -04:00
Axel Kohlmeyer 42068944aa Merge branch 'master' of github.com:gtribello/lammps into fix-plumed 2018-10-30 20:43:49 -04:00
Axel Kohlmeyer e3b89b60dc add checksum support for downloaded tar archives. upgrade to v2.4.3 2018-10-30 20:43:20 -04:00
Christoph Junghans 044507640f include Plumed.h with full path 2018-10-29 06:52:19 -06:00
Axel Kohlmeyer 283096d1d5 update .gitignore 2018-10-29 03:50:55 -04:00
Axel Kohlmeyer 360aca581c remove last reference to voro++ 2018-10-28 21:56:49 -04:00
Axel Kohlmeyer bfbf5695fd adjust path for includelink to find the Plumed.h wrapper properly 2018-10-28 21:30:37 -04:00
Axel Kohlmeyer a60b6d1ab8 add feature to python lib install script to support existing installation and use links 2018-10-28 18:12:32 -04:00
Gareth Tribello 4734bc09dc Added descriptions of static linking of PLUMED to README files 2018-07-11 21:56:08 +01:00
Gareth Tribello 492e945b5a Added options to link plumed statically 2018-07-11 16:39:52 +01:00