c53a84a967
update README file for lib/mscg
2017-08-08 13:55:12 -04:00
d2b0c287d2
add local makefile overrides to be compatible with standard suffixes
2017-08-08 13:19:44 -04:00
b3244f9c98
more lib compilation updates
2017-08-08 07:20:33 -04:00
8bba29d91e
more lib installation cleanup
2017-08-07 17:21:45 -04:00
135b1650f1
revamp of library builds
...
- remove cross compiler stuff
- make use of Install.py consistent
- provide options for Makefile.serial and Makefile.mpi that match those in src
2017-08-07 17:13:01 -04:00
163ed27618
update .gitignore
2017-08-04 16:10:59 -04:00
23ca0099f7
more updates to kim/Install.py to restore missing functionality and align with other scripts
...
- build into local directory to replace existing installation is now default
- add wrapper function that calls curl in case python package has not ssl support
- have to specify -n flag to avoid wiping out the existing installation
- can specify -p to point to an existing kim-api installation (implies -n)
2017-08-04 14:47:32 -04:00
9bfd9267fa
update and automate the QUIP configuration so that no environment variables are needed
2017-07-28 16:11:13 -04:00
3ebf561e0d
remove tarball after unpacking
2017-07-28 14:25:47 -04:00
ffb778cf9b
make Install.py for lib/smd and lib/voronoi consistent
2017-07-28 14:03:29 -04:00
f3850da9fe
clean up makefiles provide "serial" and "mpi" targets for atc and awpmd
2017-07-28 13:36:06 -04:00
e7d9aabca6
Merge branch 'kim-install' into install-and-docs-reviewed
2017-07-28 11:25:08 -04:00
c494ec35e2
correct symbolic links to shared Install.py file
2017-07-27 12:48:32 -04:00
acf6d54ec1
python3 port, yet untested
2017-07-27 09:25:39 -04:00
0427f6205e
fix typo
2017-07-27 09:25:02 -04:00
da7a5f55d3
Merge branch 'kim-install' into install-and-docs-reviewed
2017-07-26 19:32:55 -04:00
715c797df0
simplify Install.py for voronoi
2017-07-26 15:14:12 -04:00
fd6e11f821
convert copies of Install.py files to symlinks
2017-07-26 14:29:52 -04:00
f7a243a4d9
convert explicit copies back into symbolic links
2017-07-26 14:20:03 -04:00
f0d286358e
must not include system headers within 'extern "C"' blocks. breaks with MPICH
2017-07-26 14:02:02 -04:00
1b704bab18
Merge branch 'colvars-safer-makefiles' of https://github.com/giacomofiorin/lammps into colvars-quickfix
2017-07-20 15:59:23 -04:00
c98f6140e7
Change order of targets in Makefiles for Colvars
2017-07-20 15:49:31 -04:00
5031f5b807
Comment out use by Colvars of Makefile.lammps from other packages
2017-07-20 15:48:10 -04:00
9d0d90c038
README clarification from giacomo
2017-07-20 15:25:27 -04:00
66154e8a8b
avoid makefile failure, if LAMMPS has not been configured yet
2017-07-20 15:05:58 -04:00
84065dde21
Refactor lib/kim/Install.py; works with phtyon 3 2.7
2017-07-20 12:02:50 -05:00
ef9fb944c7
Detect number of processors for make
2017-07-20 10:53:08 -04:00
187a80be77
Add forgotten decode() in Install.py
2017-07-19 22:21:49 -04:00
355aad9691
restore python3 support. this now can run with python 2.7.13 and 3.5.3.
2017-07-19 17:19:44 -04:00
ee6cac826e
Update Colvars to version 2017-07-15 and support automated builds for it
2017-07-19 14:24:07 -04:00
f181a0bfab
Update lib/kim/Install.py for phthon 2.7 conversion
2017-07-19 12:54:33 -05:00
81f342aafa
fix variable name bug and synchronize with other ported Install.py files
2017-07-18 18:06:18 -04:00
7ccb0d37cd
port USER-SMD folder. make voronoi consistent with it
2017-07-18 17:37:48 -04:00
03cd4c5255
ported lib/voronoi/Install.py to python 3.x and tested with 2.7
2017-07-18 17:16:10 -04:00
d7355801df
Make KIM Install.py Python 3 compatible
2017-07-15 12:03:04 -05:00
296e572e69
better Install.py script for KIM from Ryan Elliott
2017-07-14 16:25:16 -06:00
e30c5fc956
Fixed shebang and renamed to lib/kim/Install.py
2017-07-10 21:05:29 -05:00
c29e8fba9b
Updated lib/kim/README file to go along with new install.py
2017-07-10 17:00:30 -05:00
8d592f4b9e
Finalized code for lib/kim/install.py
2017-07-10 16:43:23 -05:00
b0be8b24ea
Further work on lib/kim/install.py
2017-07-06 15:50:03 -05:00
16fc2d6fe1
Add install.py and update config for kim lib
2017-07-06 15:49:58 -05:00
d3c90f3c14
Merge pull request #510 from akohlmey/collected-small-changes
...
Collected small changes
2017-06-15 11:12:14 -06:00
7227bc415d
Merge pull request #526 from andeplane/vashishta_gpu
...
Implemented pair style vashishta in GPU package
2017-06-15 08:52:13 -06:00
d7646aeeed
Fixed opencl error
2017-06-14 12:03:47 +02:00
5f9341813d
Removed debug output
2017-06-14 10:57:54 +02:00
8441307185
Removed non-general CUDA-dir in makefile
2017-06-14 10:28:46 +02:00
720af5c360
Added vashishta to OpenCL makefile
2017-06-14 10:27:52 +02:00
eeff0b8633
Added vashishta GPU package for NVidia
2017-06-14 10:24:16 +02:00
0ecdb99885
fix uninitialized data access as reported by @martok in #174
2017-06-08 13:50:17 -04:00
00ce15d043
Remove tpls dir
2017-06-08 10:43:19 -06:00
