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Commit 88715333 authored by Giovanni Bussi's avatar Giovanni Bussi
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Merge commit 'astyle-v2.3~1' into v2.3-maxent

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-n --indent=spaces=2 --keep-one-line-statements --keep-one-line-blocks
...@@ -24,7 +24,7 @@ matrix: ...@@ -24,7 +24,7 @@ matrix:
- os: linux - os: linux
dist: trusty dist: trusty
sudo: required sudo: required
env: CPPCHECK=yes CPPCHECK_VERSION=1.75 env: CPPCHECK=yes CPPCHECK_VERSION=1.78
# then check with different optimization flags # then check with different optimization flags
- os: linux - os: linux
dist: trusty dist: trusty
...@@ -55,7 +55,11 @@ matrix: ...@@ -55,7 +55,11 @@ matrix:
# osx serial macports debug variant # osx serial macports debug variant
- os: osx - os: osx
osx_image: xcode7.3 osx_image: xcode7.3
env: PLUMED_MACPORTS="plumed +crystallization +manyrestraints +adjmat" env: PLUMED_MACPORTS="plumed +allmodules"
# osx serial macports debug variant
- os: osx
osx_image: xcode8.2
env: PLUMED_MACPORTS="plumed +allmodules"
# I don't put any mpi variant with macports since it takes too long to compile # I don't put any mpi variant with macports since it takes too long to compile
## This command can be used to allow failures: ## This command can be used to allow failures:
## allow_failures: ## allow_failures:
...@@ -85,7 +89,7 @@ install: ...@@ -85,7 +89,7 @@ install:
# I use 1.71 since 1.72 seems to report a lot of false positive # I use 1.71 since 1.72 seems to report a lot of false positive
- if test "$CPPCHECK" == yes ; then ./.travis/install.cppcheck $CPPCHECK_VERSION ; fi - if test "$CPPCHECK" == yes ; then ./.travis/install.cppcheck $CPPCHECK_VERSION ; fi
# for plumedcheck I need latest gawk # for plumedcheck I need latest gawk
- if test "$CPPCHECK" == yes ; then ./.travis/install.gawk ; fi - if test "$CPPCHECK" == yes ; then ./.travis/install.gawk 4.1.4 ; fi
# installation of these packages takes a lot of time # installation of these packages takes a lot of time
# we do it only when needed # we do it only when needed
- if test "$PLUMED_CXX" == "mpic++" -a "$TRAVIS_OS_NAME" == "linux" ; then sudo apt-get install -y libopenmpi-dev openmpi-bin ; fi - if test "$PLUMED_CXX" == "mpic++" -a "$TRAVIS_OS_NAME" == "linux" ; then sudo apt-get install -y libopenmpi-dev openmpi-bin ; fi
...@@ -98,32 +102,32 @@ install: ...@@ -98,32 +102,32 @@ install:
# then replace doxygen with the desided version # then replace doxygen with the desided version
# I use 1.8.10 instead of 1.8.11 since it looks like 1.8.11 have troubles with # I use 1.8.10 instead of 1.8.11 since it looks like 1.8.11 have troubles with
# non case sensitive files (it writes capitalized filenames) # non case sensitive files (it writes capitalized filenames)
- if test "$MAKEDOC" == yes ; then ./.travis/install.doxygen Release_1_8_12 ; fi - if test "$MAKEDOC" == yes ; then ./.travis/install.doxygen Release_1_8_13 ; fi
- if test "$VALGRIND" == yes ; then sudo apt-get install -y valgrind ; fi - if test "$VALGRIND" == yes ; then sudo apt-get install -y valgrind ; fi
- if test "$LAPACK" == yes ; then sudo apt-get -y install libatlas-base-dev ; fi - if test "$LAPACK" == yes ; then sudo apt-get -y install libatlas-base-dev ; fi
# moreover, we hardcode path to dynamic library, required for xdrfile to link properly # moreover, we hardcode path to dynamic library, required for xdrfile to link properly
# I do it only when LD_LIBRARY_PATH is non blank, since otherwise clang gives problems # I do it only when LD_LIBRARY_PATH is non blank, since otherwise clang gives problems
- if test -n "$LD_LIBRARY_PATH" ; then PLUMED_LDFLAGS="-Wl,-rpath,$LD_LIBRARY_PATH" ; fi - if test -n "$LD_LIBRARY_PATH" ; then PLUMED_LDFLAGS="-Wl,-rpath,$LD_LIBRARY_PATH" ; fi
# macports related stuff # macports related stuff
- if test -n "$PLUMED_MACPORTS" ; then export COLUMNS=80 ; fi # configure macports
# install macports from source: - if test -n "$PLUMED_MACPORTS" ; then
# - if test -n "$PLUMED_MACPORTS" ; then wget https://distfiles.macports.org/MacPorts/MacPorts-2.3.4.tar.bz2 && tar xvfj MacPorts-2.3.4.tar.bz2 ; fi export COLUMNS=80 ;
# - if test -n "$PLUMED_MACPORTS" ; then cd MacPorts-2.3.4 && ./configure && sudo make install && cd - && sudo rm -fr MacPorts-2.3.4 ; fi wget https://raw.githubusercontent.com/GiovanniBussi/macports-ci/master/macports-ci ;
# install macports from binary (faster): chmod +x ./macports-ci ;
- if test -n "$PLUMED_MACPORTS" ; then wget https://distfiles.macports.org/MacPorts/MacPorts-2.3.4-10.11-ElCapitan.pkg ; fi ./macports-ci install ;
- if test -n "$PLUMED_MACPORTS" ; then sudo installer -pkg MacPorts-2.3.4-10.11-ElCapitan.pkg -target / ; fi PATH="/opt/local/bin:$PATH" ;
- if test -n "$PLUMED_MACPORTS" ; then export PATH=/opt/local/bin:$PATH ; fi make macports ;
- if test -n "$PLUMED_MACPORTS" ; then sudo port -v selfupdate ; fi ./macports-ci localports macports ;
- if test -n "$PLUMED_MACPORTS" ; then make macports ; fi fi
- if test -n "$PLUMED_MACPORTS" ; then ./.travis/config.macports.sh ; fi
script: script:
# we enable crystallization and manyrestraints modules # make sure all modules are enabled
- CONFIG_FLAGS="$CONFIG_FLAGS --enable-modules=crystallization:manyrestraints:adjmat" - CONFIG_FLAGS="$CONFIG_FLAGS --enable-modules=all"
# we enable fftw, which is off by default # we enable fftw, which is off by default
- CONFIG_FLAGS="$CONFIG_FLAGS --enable-fftw" - CONFIG_FLAGS="$CONFIG_FLAGS --enable-fftw"
- if test "$MAKEDOC" == yes ; then CONFIG_FLAGS="$CONFIG_FLAGS --enable-pdfdoc" ; fi - if test "$MAKEDOC" == yes ; then CONFIG_FLAGS="$CONFIG_FLAGS --enable-pdfdoc" ; fi
- if test "$MAKEDOC" == yes ; then CONFIG_FLAGS="$CONFIG_FLAGS --enable-gcov" ; fi - if test "$MAKEDOC" == yes ; then CONFIG_FLAGS="$CONFIG_FLAGS --enable-gcov" ; fi
# when running lcov plumed should be compiled with -O0
- if test "$MAKEDOC" == yes ; then PLUMED_CXXFLAGS=-O0 ; fi
# BUILD: # BUILD:
# this is done only if PLUMED_CXX is defined # this is done only if PLUMED_CXX is defined
...@@ -134,9 +138,7 @@ script: ...@@ -134,9 +138,7 @@ script:
- if test "$PLUMED_CXX" ; then make install prefix="$HOME/opt" ; fi - if test "$PLUMED_CXX" ; then make install prefix="$HOME/opt" ; fi
# build using macports # build using macports
# this is required for some misterious reason: - if test -n "$PLUMED_MACPORTS" ; then sudo port -N install $PLUMED_MACPORTS ; fi
- if test -n "$PLUMED_MACPORTS" ; then sudo port install flex +universal ; fi
- if test -n "$PLUMED_MACPORTS" ; then sudo port install $PLUMED_MACPORTS ; fi
# TEST: # TEST:
- if test "$VALGRIND" == yes ; then OPT=valgrind ; else OPT="" ; fi - if test "$VALGRIND" == yes ; then OPT=valgrind ; else OPT="" ; fi
......
#! /bin/bash
set -e
set -x
cd macports
cp /opt/local/etc/macports/sources.conf $$
awk -v repo="file://$PWD" '{if($NF=="[default]") print repo; print}' $$ > $$.new
sudo mv -f $$.new /opt/local/etc/macports/sources.conf
echo "** NEW SOURCES"
cat /opt/local/etc/macports/sources.conf
echo "** END NEW SOURCES"
rm -f $$
portindex
...@@ -3,6 +3,7 @@ ...@@ -3,6 +3,7 @@
set -e set -e
set -x set -x
cd "$(mktemp -d)"
git clone https://github.com/danmar/cppcheck.git git clone https://github.com/danmar/cppcheck.git
cd cppcheck cd cppcheck
...@@ -15,12 +16,9 @@ else ...@@ -15,12 +16,9 @@ else
version=$(git tag | tail -n 1) version=$(git tag | tail -n 1)
fi fi
git checkout $version git checkout $version
make -j 4 install CFGDIR="$HOME/opt/share/cppcheck/" CXXFLAGS="-O2 -march=native -mtune=native -Wunreachable-code" PREFIX="$HOME/opt" make -j 4 install CFGDIR="$HOME/opt/share/cppcheck/" CXXFLAGS="-O2 -march=native -mtune=native -Wunreachable-code" PREFIX="$HOME/opt"
cd ../ cd ../
cppcheck --version cppcheck --version
...@@ -3,6 +3,8 @@ ...@@ -3,6 +3,8 @@
set -e set -e
set -x set -x
cd "$(mktemp -d)"
git clone https://github.com/doxygen/doxygen.git git clone https://github.com/doxygen/doxygen.git
cd doxygen cd doxygen
......
...@@ -3,12 +3,25 @@ ...@@ -3,12 +3,25 @@
set -e set -e
set -x set -x
echo "installing latest gawk" cd "$(mktemp -d)"
wget http://git.savannah.gnu.org/cgit/gawk.git/snapshot/gawk-4.1.4.tar.gz
tar xzf gawk-4.1.4.tar.gz version=4.1.4
cd gawk-4.1.4
if [ -n "$1" ] ; then
version=$1
fi
echo "installing gawk $version"
wget http://git.savannah.gnu.org/cgit/gawk.git/snapshot/gawk-$version.tar.gz
tar xzf gawk-$version.tar.gz
cd gawk-$version
./configure --prefix="$HOME/opt" ./configure --prefix="$HOME/opt"
make -j 4 make -j 4
make install make install
cd ../
...@@ -3,16 +3,25 @@ ...@@ -3,16 +3,25 @@
set -e set -e
set -x set -x
cd "$(mktemp -d)"
echo "installing xdrfile library" echo "installing xdrfile library"
# wget ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz # wget ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz
# xdrfile was removed from gromacs ftp # xdrfile was removed from gromacs ftp
# as a workaround I added a copy to people.sissa.it/~bussi/plumed # as a workaround I added a copy to people.sissa.it/~bussi/plumed
# this complies with its license # this complies with its license
wget people.sissa.it/~bussi/plumed/xdrfile-1.1.4.tar.gz wget people.sissa.it/~bussi/plumed/xdrfile-1.1.4.tar.gz
tar xzf xdrfile-1.1.4.tar.gz tar xzf xdrfile-1.1.4.tar.gz
cd xdrfile-1.1.4 cd xdrfile-1.1.4
./configure --enable-shared --prefix="$HOME/opt" ./configure --enable-shared --prefix="$HOME/opt"
make make
make install make install
cd ../ cd ../
...@@ -30,7 +30,7 @@ character now has a special usage in component names. ...@@ -30,7 +30,7 @@ character now has a special usage in component names.
if these libraries are not installed. if these libraries are not installed.
- New actions: - New actions:
- \ref SPRINT topological collective variables. - \ref SPRINT topological collective variables.
- \ref CH3SHIFTS collective variable. - CH3SHIFTS collective variable.
- \ref POSITION collective variable. - \ref POSITION collective variable.
- \ref FIT_TO_TEMPLATE. - \ref FIT_TO_TEMPLATE.
- \ref COMMITTOR analysis. - \ref COMMITTOR analysis.
......
...@@ -165,9 +165,8 @@ For developers: ...@@ -165,9 +165,8 @@ For developers:
- Tentative port files are now available at [this link](http://github.com/plumed/ports). - Tentative port files are now available at [this link](http://github.com/plumed/ports).
They can be used to install PLUMED using MacPorts. They can be used to install PLUMED using MacPorts.
Version 2.2.4 Version 2.2.4 (Dec 12, 2016)
------------- -------------
See branch \branch{v2.2} on git repository.
For users: For users:
- Fix a bug in \ref PBMETAD when biasing periodic and not periodic collective variables at the same time - Fix a bug in \ref PBMETAD when biasing periodic and not periodic collective variables at the same time
...@@ -177,8 +176,22 @@ For users: ...@@ -177,8 +176,22 @@ For users:
- Updated gromacs patch for 5.1.x to 5.1.4 - Updated gromacs patch for 5.1.x to 5.1.4
- Fix a performance regression in the calculate loop where derivatives and forces were set to zero even if an action - Fix a performance regression in the calculate loop where derivatives and forces were set to zero even if an action
was not active, this is relevant for postprocessing and for the on-the-fly analysis was not active, this is relevant for postprocessing and for the on-the-fly analysis
- Torsion calculation has been made slightly faster and improved so as to provide correct
derivatives even for special angles (e.g. +pi/2 and -pi/2).
For developers: For developers:
- Macports portile is now tested on travis at every plumed push. - Macports portile is now tested on travis at every plumed push.
Version 2.2.5 (Mar 31, 2017)
-------------
Notice that branch 2.2 will not be longer maintained! All users are invited to switch to version 2.3.
For users:
- Fixed a problem with large step numbers in driver (see \issue{209}).
- Fixed a problem leading to crashes when using switching functions without cutoff with some compiler (see \issue{210}).
- Fixed a bug when using \ref FIT_TO_TEMPLATE and domain decomposition (see \issue{214}).
- Added an automatic flush of HILLS files when using \ref METAD with file-based multiple walkers.
- Root dir is logged to allow easier debugging of problems.
*/ */
...@@ -2,7 +2,7 @@ ...@@ -2,7 +2,7 @@
@page CHANGES-2-3 Version 2.3 @page CHANGES-2-3 Version 2.3
Version 2.3 (Jun 30, 2016) Version 2.3 (Dec 12, 2016)
---------------------------- ----------------------------
Version Version
...@@ -43,6 +43,7 @@ Changes from version 2.2 which are relevant for users: ...@@ -43,6 +43,7 @@ Changes from version 2.2 which are relevant for users:
- \ref CS2BACKBONE, \ref NOE, \ref RDC, removed the keyword ENSEMBLE: now ensemble averages can only be calculated using \ref ENSEMBLE - \ref CS2BACKBONE, \ref NOE, \ref RDC, removed the keyword ENSEMBLE: now ensemble averages can only be calculated using \ref ENSEMBLE
- \ref RDC, syntax changes - \ref RDC, syntax changes
- It is not possible anymore to select modules using `modulename.on` and `modulename.off` files. Use `./configure --enable-modules` instead. - It is not possible anymore to select modules using `modulename.on` and `modulename.off` files. Use `./configure --enable-modules` instead.
- Removed IMD modules. In case someone is interested in restoring it, please contact the PLUMED developers.
- New actions: - New actions:
- \ref FIXEDATOM - \ref FIXEDATOM
- \ref HBOND_MATRIX - \ref HBOND_MATRIX
...@@ -72,14 +73,18 @@ Changes from version 2.2 which are relevant for users: ...@@ -72,14 +73,18 @@ Changes from version 2.2 which are relevant for users:
- \ref LOCALENSEMBLE - \ref LOCALENSEMBLE
- \ref FRET - \ref FRET
- \ref RESET_CELL - \ref RESET_CELL
- \ref JCOUPLING
- \ref ERMSD
- New features in MD patches (require repatch): - New features in MD patches (require repatch):
- Patch for amber 14 now passes charges with appropriate units (fixes \issue{165}). Notice that - Patch for amber 14 now passes charges with appropriate units (fixes \issue{165}). Notice that
the patch is still backward compatible with older PLUMED version, but the charges will only be passed the patch is still backward compatible with older PLUMED version, but the charges will only be passed
when using PLUMED 2.3 or later. when using PLUMED 2.3 or later.
- Patch for GROMACS 5.1 incorporates Hamiltonian replica exchange, see \ref hrex - Patch for GROMACS 5.1 incorporates Hamiltonian replica exchange, see \ref hrex
- Gromacs 2016, 5.1.x, 5.0.x, flush the plumed output files upon checkpointing - Gromacs 2016, 5.1.x, 5.0.x, flush the plumed output files upon checkpointing
- Added patch for Gromacs 2016 - Added patch for Gromacs 2016.1
- gromacs 5.1.x patch updated to 5.1.4
- Removed the patch for Gromacs 4.6.x - Removed the patch for Gromacs 4.6.x
- LAMMPS patch updated to support multiple walkers and report plumed bias to LAMMPS (thanks to Pablo Piaggi).
- New features for existing actions: - New features for existing actions:
- The SPECIES and SPECIESA keyword in MultiColvars can now take a multicolvar as input. This allows one - The SPECIES and SPECIESA keyword in MultiColvars can now take a multicolvar as input. This allows one
to calculate quantities such as the Q4 parameters for those atoms that have a coordination number greater to calculate quantities such as the Q4 parameters for those atoms that have a coordination number greater
...@@ -91,16 +96,25 @@ Changes from version 2.2 which are relevant for users: ...@@ -91,16 +96,25 @@ Changes from version 2.2 which are relevant for users:
- \ref driver now allows --trajectory-stride to be set to zero when reading with --ixtc/--itrr. In this case, step number is read from the trajectory file. - \ref driver now allows --trajectory-stride to be set to zero when reading with --ixtc/--itrr. In this case, step number is read from the trajectory file.
- \ref METAD and \ref PBMETAD can now be restarted from a GRID - \ref METAD and \ref PBMETAD can now be restarted from a GRID
- Added keywords TARGET and DAMPFACTOR in \ref METAD - Added keywords TARGET and DAMPFACTOR in \ref METAD
- When using \ref METAD with file-based multple walkers and parallel jobs (i.e. mpirun) extra suffix is not added (thanks to Marco De La Pierre).
- \ref ENSEMBLE added keywords for weighted averages, and calculation of higher momenta - \ref ENSEMBLE added keywords for weighted averages, and calculation of higher momenta
- \ref MOLINFO now allows single atoms to be picked by name. - \ref MOLINFO now allows single atoms to be picked by name.
- \ref FIT_TO_TEMPLATE now supports optimal alignment. - \ref FIT_TO_TEMPLATE now supports optimal alignment.
- \ref CONSTANT added the possibility of storing more values as components with or without derivatives - \ref CONSTANT added the possibility of storing more values as components with or without derivatives
- \ref PUCKERING now supports 6 membered rings.
- Extended checkpoint infrastracture, now \ref METAD and \ref PBMETAD will write GRIDS also on checkpoint step (only the GROMACS patch
is currently using the checkpointing interface)
- Other features: - Other features:
- Added a plumed-config command line tool. Can be used to inspect configuration also when cross compiling. - Added a plumed-config command line tool. Can be used to inspect configuration also when cross compiling.
- Added a `--mpi` option to `plumed`, symmetric to `--no-mpi`. Currently, it has no effect (MPI is initialized by default when available). - Added a `--mpi` option to `plumed`, symmetric to `--no-mpi`. Currently, it has no effect (MPI is initialized by default when available).
- PLUMED now generate a VIM syntax file, see \ref VimSyntax - PLUMED now generate a VIM syntax file, see \ref VimSyntax
- The backward cycle is now parallelised in MPI/OpenMP in case many collective variables are used. - The backward cycle is now parallelised in MPI/OpenMP in case many collective variables are used.
- GSL library is now searched by default during `./configure`.
- Tutorials have been (partially) updated to reflect some of the changes in the syntax
- Parser now reports errors when passing numbers that cannot be parsed instead of silently replacing their default value. See \issue{104}.
- More and more documentation - More and more documentation
- Bug fixes:
- Fixed a bug in \ref PBMETAD that was preventing the writing of GRIDS if a hill was not added in that same step
For developers: For developers:
- IMPORTANT: BIAS can now be BIASED as well, this changes can lead to some incompatibility: now the "bias" component is always defined automatically - IMPORTANT: BIAS can now be BIASED as well, this changes can lead to some incompatibility: now the "bias" component is always defined automatically
...@@ -109,29 +123,44 @@ For developers: ...@@ -109,29 +123,44 @@ For developers:
- Added new strings for plumed cmd: setMDMassUnits, setMDChargeUnits, readInputLine, performCalcNoUpdate, update and doCheckPoint. - Added new strings for plumed cmd: setMDMassUnits, setMDChargeUnits, readInputLine, performCalcNoUpdate, update and doCheckPoint.
- Easier to add actions with multiple arguments - Easier to add actions with multiple arguments
- New functions to access local quantities in domain decomposition - New functions to access local quantities in domain decomposition
- Active modules to enable regtests are chosen using `plumed config`.
- A script is available to check if source code complies plumed standard. Notice that this script is run together with cppcheck on travis-ci.
- Cppcheck on travis-ci has been updated to 1.75. Several small issues triggering errors on 1.75 were fixed (e.g. structures passed by value
are now passed by const ref) and false positives marked as such.
- Added coverage scan.
Fixes in beta Version 2.3.1 (Mar 31, 2017)
------------- -------------
Fixes since 2.3b. Relevant things could be merged in the changelog above when we release 2.3.0 - Fix to FIT_TO_TEMPLATE as in 2.2.5. Notice that in 2.3.0 also the case with TYPE=OPTIMAL was affected. This is fixed now.
- small change in \ref CS2BACKBONE to symmetrise the ring current contribution with respect to ring rotations (also faster)
- fixed `plumed-config` that was not working.
- log file points to the `config.txt` files to allow users to check which features were available in that compiled version.
- `make clean` in root dir now also cleans `vim` subdirectory.
- Updated gromacs patch to version 2016.3
For developers:
- Cppcheck on travis-ci has been updated to 1.77.
- Doxygen on travis-ci has been updated to 1.8.13
Version 2.3.2
-------------
See branch \branch{v2.3} on git repository.
- New flag `--disable-libsearch` for `configure`, allowing an easier control of linked libraries when installing PLUMED
with a package manager such as MacPorts.
- Resolved problem with nan in \ref SMAC with SPECIESA and SPECIESB involving molecules that are the same
- PDB reader is now able to read files with dos newlines (see \issue{223}).
- Fixed bug in \ref CS2BACKBONE (v2.3.1) related to ring currents of HIS and TRP
- Fixed bug in if condition in \ref PCAVARS so that you can run with only one eigenvector defined in input
- Fixed bug with timers in \ref sum_hills \issue{194}.
- Fixed bug when using \ref MOVINGRESTRAINT with periodic variables such as \ref TORSION \issue{225}.
- Fixed bug in \ref HBONDS that used to apear when you used DONORNS and ACCEPTORS with same numbers of atoms
- Fixed bug in \ref DISTANCES that appears when using BETWEEN and link cells.
- Prevented users from causing segfaults by storing derivatives without LOWMEM flag. In these caess PLUMED crashes with meaningful errors.
- Fixed bug in \ref HISTOGRAM that causes nans when using KERNEL=DISCRETE option
For developers:
- plumedcheck validation has been made stricter. All the checks are now described in the developer manual.
- Fixed critical pragma in openmp of Colvar. This could have lead to wrong virial accumulation.
- Extended checkpoint infrastracture, now \ref METAD and \ref PBMETAD will write GRIDS also on checkpoint step (only the GROMACS patch
is currently using the checkpointing interface)
- Fixed a bug in \ref PBMETAD that was preventing the writing of GRIDS if a hill was not added in that same step
- GSL library is now searched by default during `./configure`.
- Removed IMD modules. In case someone is interested in restoring it, please contact the PLUMED developers.
- (for developers) Active modules to enable regtests are chosen using `plumed config`.
- New CV: \ref JCOUPLING
- New CV: \ref ERMSD
- \ref PUCKERING now supports 6 membered rings.
- Tutorials have been (partially) updated to reflect some of the changes in the syntax
- gromacs 5.1.x patch updated to 5.1.4
- LAMMPS patch updated to support multiple walkers and report plumed bias to LAMMPS (thanks to Pablo Piaggi).
- When using \ref METAD with file-based multple walkers and parallel jobs (i.e. mpirun) extra suffix is not added (thanks to Marco De La Pierre).
- Parser now reports errors when passing numbers that cannot be parsed instead of silently replacing their default value. See \issue{104}.
- (for developers) A script is available to check if source code complies plumed standard. Notice that this script is run together with cppcheck on travis-ci.
- (for developers) Cppcheck on travis-ci has been updated to 1.75. Several small issues triggering errors on 1.75 were fixed (e.g. structures passed by value
are now passed by const ref) and false positives marked as such.
- (for developers) Added coverage scan.
*/ */
...@@ -4,12 +4,12 @@ endif ...@@ -4,12 +4,12 @@ endif
SRCDIRS := src test SRCDIRS := src test
SUBDIRS := $(SRCDIRS) user-doc developer-doc regtest macports SUBDIRS := $(SRCDIRS) user-doc developer-doc regtest macports vim astyle
SUBDIRSCLEAN:=$(addsuffix .clean,$(SUBDIRS)) SUBDIRSCLEAN:=$(addsuffix .clean,$(SUBDIRS))
.PHONY: all lib clean $(SRCDIRS) doc docclean check cppcheck distclean all_plus_docs macports codecheck plumedcheck .PHONY: all lib clean $(SRCDIRS) doc docclean check cppcheck distclean all_plus_docs macports codecheck plumedcheck astyle
# if machine dependent configuration has been found: # if machine dependent configuration has been found:
ifdef GCCDEP ifdef GCCDEP
...@@ -111,5 +111,8 @@ stamp-h: sourceme.sh.in Makefile.conf.in config.status ...@@ -111,5 +111,8 @@ stamp-h: sourceme.sh.in Makefile.conf.in config.status
config.status: configure config.status: configure
./config.status --recheck ./config.status --recheck
astyle:
$(MAKE) -C astyle
$(MAKE) -C src astyle
...@@ -5,7 +5,6 @@ COPYING.LESSER : license ...@@ -5,7 +5,6 @@ COPYING.LESSER : license
Makefile : makefile Makefile : makefile
PEOPLE : list of authors PEOPLE : list of authors
README : this file README : this file
README.git : quick reference for git
configurations/ : template configuration files configurations/ : template configuration files
configure : configuration script configure : configuration script
developer-doc : developer documentation developer-doc : developer documentation
......
...@@ -5,4 +5,4 @@ ...@@ -5,4 +5,4 @@
# (this is same as gromacs) # (this is same as gromacs)
# Notice that "plumed --version" will return only 2.X # Notice that "plumed --version" will return only 2.X
# and "plumed --long-version" will return the full string # and "plumed --long-version" will return the full string
2.3b 2.3.1
astyle
### MIT License
Copyright (c) 2017 by Jim Pattee <jimp03@email.com>.
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in
all copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
THE SOFTWARE.
.PHONY: astyle
astyle:
$(MAKE) -C build/gcc
ln -fs build/gcc/bin/astyle .
clean:
$(MAKE) -C build/gcc clean
rm -f astyle
Instructions for using Artistic Style are included in the *doc* directory.
The file **install.html** contains instructions for compiling and
installing Artistic Style.
The file **astyle.html**' contains information on using Artistic Style.
The files **news.html** and **notes.html** contain information on changes
made to the various releases.
<?xml version="1.0" encoding="UTF-8" standalone="yes" ?>
<CodeBlocks_project_file>
<FileVersion major="1" minor="6" />
<Project>
<Option title="Clang AStyle A" />
<Option pch_mode="2" />
<Option compiler="clang" />
<Build>
<Target title="Debug">
<Option output="bin/astyled" prefix_auto="1" extension_auto="1" />
<Option working_dir="" />
<Option object_output="objA/Debug/" />
<Option type="2" />
<Option compiler="clang" />
<Option createDefFile="1" />
<Compiler>
<Add option="-Weverything" />
<Add option="-Wall" />
<Add option="-std=c++11" />
<Add option="-g" />
<Add option="-Wextra" />
<Add option="-fno-rtti" />
<Add option="-fno-exceptions" />
<Add option="-Wno-c++98-compat" />
<Add option="-Wno-exit-time-destructors" />
<Add option="-Wno-global-constructors" />
<Add option="-Wno-missing-variable-declarations" />
<Add option="-Wno-old-style-cast" />
<Add option="-Wno-padded" />
<Add option="-Wno-shorten-64-to-32" />
<Add option="-Wno-sign-conversion" />
<Add option="-Wno-weak-vtables" />
<Add option="-DASTYLE_LIB" />
</Compiler>
</Target>
<Target title="Release">
<Option output="bin/astyle" prefix_auto="1" extension_auto="1" />
<Option working_dir="" />
<Option object_output="objA/Release/" />
<Option type="2" />
<Option compiler="clang" />
<Option createDefFile="1" />
<Compiler>
<Add option="-O3" />
<Add option="-Weverything" />
<Add option="-Wall" />
<Add option="-std=c++11" />
<Add option="-Wextra" />
<Add option="-fno-rtti" />
<Add option="-fno-exceptions" />
<Add option="-Wno-c++98-compat" />
<Add option="-Wno-exit-time-destructors" />
<Add option="-Wno-global-constructors" />
<Add option="-Wno-missing-variable-declarations" />
<Add option="-Wno-old-style-cast" />
<Add option="-Wno-padded" />
<Add option="-Wno-shorten-64-to-32" />
<Add option="-Wno-sign-conversion" />
<Add option="-Wno-weak-vtables" />
<Add option="-DNDEBUG" />
<Add option="-DASTYLE_LIB" />
</Compiler>
<Linker>
<Add option="-s" />
</Linker>
</Target>
</Build>
<Unit filename="../../src/ASBeautifier.cpp" />
<Unit filename="../../src/ASEnhancer.cpp" />
<Unit filename="../../src/ASFormatter.cpp" />
<Unit filename="../../src/ASResource.cpp" />
<Unit filename="../../src/astyle.h" />
<Unit filename="../../src/astyle_main.cpp" />
<Unit filename="../../src/astyle_main.h" />
<Extensions>
<code_completion />
<envvars />
<debugger />
</Extensions>
</Project>
</CodeBlocks_project_file>
<?xml version="1.0" encoding="UTF-8" standalone="yes" ?>
<CodeBlocks_workspace_file>
<Workspace title="Clang (GCC) AStyle All">
<Project filename="Clang AStyle.cbp" />
<Project filename="Clang AStyle So.cbp" />
<Project filename="Clang AStyle Java.cbp" />
<Project filename="Clang AStyle A.cbp" />
</Workspace>
</CodeBlocks_workspace_file>
<?xml version="1.0" encoding="UTF-8" standalone="yes" ?>
<CodeBlocks_project_file>
<FileVersion major="1" minor="6" />
<Project>
<Option title="Clang AStyle Java" />
<Option pch_mode="2" />
<Option compiler="clang" />
<Build>
<Target title="Debug">
<Option output="bin/libastylejd.so.$(SOLIBVER)" prefix_auto="0" extension_auto="0" />
<Option object_output="objJ/Debug/" />
<Option type="3" />
<Option compiler="clang" />
<Compiler>
<Add option="-Weverything" />
<Add option="-Wall" />
<Add option="-std=c++11" />
<Add option="-g" />
<Add option="-Wextra" />
<Add option="-fno-rtti" />
<Add option="-fno-exceptions" />
<Add option="-fPIC" />
<Add option="-Wno-c++98-compat" />
<Add option="-Wno-exit-time-destructors" />
<Add option="-Wno-global-constructors" />
<Add option="-Wno-missing-variable-declarations" />
<Add option="-Wno-old-style-cast" />
<Add option="-Wno-padded" />
<Add option="-Wno-reserved-id-macro" />
<Add option="-Wno-shorten-64-to-32" />
<Add option="-Wno-sign-conversion" />
<Add option="-Wno-weak-vtables" />
<Add option="-Wno-unknown-warning-option" />
<Add option="-DASTYLE_JNI" />
<Add directory="/usr/lib/jvm/default-java/include" />
<Add directory="/usr/lib/jvm/default-java/include/linux" />
</Compiler>
<Linker>
<Add option="-Wl,-soname,libastylejd.so.$(MAJORVER)" />
</Linker>
</Target>
<Target title="Release">
<Option output="bin/libastylej.so.$(SOLIBVER)" prefix_auto="0" extension_auto="0" />
<Option object_output="objJ/Release/" />
<Option type="3" />
<Option compiler="clang" />
<Compiler>
<Add option="-O3" />
<Add option="-Weverything" />
<Add option="-Wall" />
<Add option="-std=c++11" />
<Add option="-Wextra" />
<Add option="-fno-rtti" />
<Add option="-fno-exceptions" />
<Add option="-fPIC" />
<Add option="-Wno-c++98-compat" />
<Add option="-Wno-exit-time-destructors" />
<Add option="-Wno-global-constructors" />
<Add option="-Wno-missing-variable-declarations" />
<Add option="-Wno-old-style-cast" />
<Add option="-Wno-padded" />
<Add option="-Wno-reserved-id-macro" />
<Add option="-Wno-shorten-64-to-32" />
<Add option="-Wno-sign-conversion" />
<Add option="-Wno-weak-vtables" />
<Add option="-Wno-unknown-warning-option" />
<Add option="-DASTYLE_JNI" />
<Add option="-DNDEBUG" />
<Add directory="/usr/lib/jvm/default-java/include" />
<Add directory="/usr/lib/jvm/default-java/include/linux" />
</Compiler>
<Linker>
<Add option="-s" />
<Add option="-Wl,-soname,libastylej.so.$(MAJORVER)" />
</Linker>
</Target>
<Environment>
<Variable name="MAJORVER" value="3" />
<Variable name="MINORVER" value="0" />
<Variable name="PATCHVER" value="0" />
<Variable name="SOLIBVER" value="$(MAJORVER).$(MINORVER).$(PATCHVER)" />
</Environment>
</Build>
<Unit filename="../../src/ASBeautifier.cpp" />
<Unit filename="../../src/ASEnhancer.cpp" />
<Unit filename="../../src/ASFormatter.cpp" />
<Unit filename="../../src/ASResource.cpp" />
<Unit filename="../../src/astyle.h" />
<Unit filename="../../src/astyle_main.cpp" />
<Unit filename="../../src/astyle_main.h" />
<Extensions>
<code_completion />
<debugger />
<envvars />
</Extensions>
</Project>
</CodeBlocks_project_file>
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