- Sep 26, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
Added in the list of options to be tested: $($CXX --print-prog-name=ld) -r -o As suggested by @alalazo Since this option appears to work also with old compilers, I try it as a first option. See #291
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Giovanni Bussi authored
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carlocamilloni authored
[makedoc]
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carlocamilloni authored
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Giovanni authored
Improvements in drr module
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https://github.com/plumed/plumed2hanatok authored
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hanatok authored
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- Sep 25, 2017
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https://github.com/plumed/plumed2hanatok authored
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Giovanni Bussi authored
This required changing a reset() used in the transition
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Giovanni Bussi authored
Notice that this required changing back some reset() call. Indeed, as an intermediate stage, some unique_ptr<Grid> objects were assigned using reset(). Now that Grid::create correctly returns a unique_ptr<Grid> they should be assigned using =
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Spot out by cppcheck on master branch. Since the problem is relevant also for v2.3, I fix it here.
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Giovanni Bussi authored
This command should be more portable. Notice that with old gcc (e.g. 4.6) this does not work. I added a test such that when this does not work "ld -r -o" is tried instead
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- Sep 22, 2017
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Giovanni Bussi authored
removed extra comma
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- Sep 21, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
# Conflicts: # src/lib/Makefile
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Giovanni Bussi authored
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Giovanni Bussi authored
This change allows to load libraries locate in src/lib more easily on a mac. Notice that traditionally this was solved by setting DYLD_LIBRARY_PATH. However, as of osx Capitan, DYLD_LIBRARY_PATH does not work correctly. Fixing the installed path with install_name_tool should solve the issue. (backported from master)
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hanatok authored
C-style IO is faster than fstream in C++.
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- Sep 19, 2017
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https://github.com/plumed/plumed2hanatok authored
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- Sep 18, 2017
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Gareth Tribello authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Fixed also buildPythonInterface script (was using LDSO)
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Giovanni Bussi authored
The new name looks more standard (it is used in the python community)
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Giovanni Bussi authored
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- Sep 17, 2017
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Giovanni authored
V2.4 - Dimer CV update' [makedoc]
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- Sep 16, 2017
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Giovanni Bussi authored
@valsson what about hardcoding the current variables in case environment is not defined? The point is that env var set on travis are not visible, so at some point we could even forget what are the right settings.
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Omar Valsson authored
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Omar Valsson authored
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Omar Valsson authored
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Omar Valsson authored
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Omar Valsson authored
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Omar Valsson authored
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Gareth Tribello authored
* Added first working python interface * Tidied up python interface * Further simplification of python * Added example which should be deleted later * Added functions for getting values from plumed to python * Added regression test for python interface * Added mechanism to return exceptions from plumed to python * First commit of experimental stuff to catch exceptions in python correctly * Got rid of unecessarily duplicated method in PlumedMain * Fixed crazy MAC input encoding * Oops, had also broken the script.. * Removed debug messages. Works on Ubuntu Linux Linus rules. Apple sucks. * Fixed PlumedMain passing of data from plumed to outside code * Hard coded real precision for python interface - this should have been with the last commit * Added first go at working makefile for python interface * Added options to configure to build python interface from makefile * Small changes to where loading of python interface is done * Removed unecessary wrapper c++ function from python interface * Made python install work in a way that is consistent with the rest of plumed * Added pythonpath to travis.yml * Added installation of Cython to travis.yml * Added ifdef block to stop cppcheck throwing an error * Using uniqu_ptr for DataFetching object in PlumedMain * Added install command for numpy to travis * Added string to tell me whether plumed+python is being built * Small change in travis.yml file to see if I can get python compile working * Compilers for cython are now specified from Makefile.conf * Now printing stuff on environment to try to work out why linking doesn't work * A new attempt to fix the travis-ci issues * Got rid of troubling TRAVIS_PYTHON_FLAG * Small change to see if we can get this to work on travis * Now setting LDSHARED from LDSO in makefile * Added something to print everything in the python path when we run the python test * Fixed python path in travis.yml * Removed stuff for debugging configuration on travis * Customized conda install (for python) in travis.yml so that osx version is installed for osx and linux version is installed for linux * Set TMPDIR in .travis.yml to hopefully get osx to compile PLUMED + Python * Made it so that python interface is rebuilt when user does make install so that correct paths are used * Made it so that python interface is rebuilt in staging area during install procedure * Corrected regtest script so that python tests are dealt with the same as everything else
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