diff --git a/CHANGES/v2.3.md b/CHANGES/v2.3.md index 7463e4d89c6d2cb6d3b692f7df0557eebbd0548c..b0f4416e7cbf66806cbdabced58203b78b1d56e8 100644 --- a/CHANGES/v2.3.md +++ b/CHANGES/v2.3.md @@ -201,10 +201,12 @@ For developers: find them without explicitly setting `DYLD_LIBRARY_PATH`. This should also make the `DYLD_LIBRARY_PATH` irrelevant. Notice that `DYLD_LIBRARY_PATH` is not well behaved in OSX El Capitan. -## Version 2.3.4 (unreleased) +## Version 2.3.4 (Dec 15, 2017) For users: -- GROMACS patch updated to gromacs-2016.4 +- GROMACS patch updated to gromacs-2016.4. This patch was also fixed in order to properly work with \ref ENERGY (see \issue{316}) + and to implement `-hrex` option (see \issue{197}). +- Patch for GROMACS 5.1.4 updated to fix an error with \ref ENERGY (see \issue{316}). - Solved a bug in \ref ERMSD leading to incorrect results when using non-default length units (e.g. with `UNITS LENGTH=A`). For developers: diff --git a/CHANGES/v2.4.md b/CHANGES/v2.4.md index ff90f931e29a49dad05ac6d5130e7cbcf8432181..72797b356bb60359deb988ef357eb6048d952ecd 100644 --- a/CHANGES/v2.4.md +++ b/CHANGES/v2.4.md @@ -1,6 +1,6 @@ @page CHANGES-2-4 Version 2.4 -## Version 2.4b (Oct 3, 2017) +## Version 2.4 (Dec 15, 2017) Version 2.4 contains several improvements with respect to 2.3. Users currently working with 2.3 should have a look at the section "Changes leading to incompatible behavior" below and @@ -127,7 +127,10 @@ Changes from version 2.3 which are relevant for users: - Examples in the documentation now have syntax highlighting and links to the documentation of used actions. - \ref COORDINATIONNUMBER : Added option to have pairwise distance moments of coordination number in the multicolvar module - GROMACS patch updated to gromacs-2016.4 + - Implemented HREX for gromacs-2016.4. + - Added patch for Quantum ESPRESSO 6.2 (thanks to Ralf Meyer). - Fixed a bug in \ref LOCAL_AVERAGE which appears when you use SPECIESA and SPECIESB keywords instead of just SPECIES + - Added possibility to pass `--kt` from \ref driver. Changes from version 2.3 which are relevant for developers: - A few fixes has been made to improve exception safety. Although we still cannot declare @@ -149,16 +152,11 @@ Changes from version 2.3 which are relevant for developers: - environment variable `LDSO` has been renamed to `LDSHARED`, which is standard in the python community. - a `libplumedWrapper.a` library is installed as well, that is used in `--runtime` patching. - pkgconfig files are installed. - -Fixes after beta release: - - Fixed a bug in EDS module for restarts, where accumulated rate was not stored to restart file, leading to convergence problems. - - (developers) `plumed config makefile_conf` can be used to retrieve `Makefile.conf` file a posteriori. - - Added patch for Quantum ESPRESSO 6.2 (thanks to Ralf Meyer). - - Implemented HREX for gromacs-2016.4. - - Added possibility to pass `--kt` from \ref driver. - - (developers) Store `MPIEXEC` variable at configure time and use it later for running regtests. Notice that in case + - `plumed config makefile_conf` can be used to retrieve `Makefile.conf` file a posteriori. + - Store `MPIEXEC` variable at configure time and use it later for running regtests. Notice that in case `MPIEXEC` is not specified regtests will be run using the command stored in env var `PLUMED_MPIRUN` or, if this is also not defined, using `mpirun`. - - (developers) Added canonical makefile targets `check` and `installcheck`. Notice that `check` runs checks with + - Added canonical makefile targets `check` and `installcheck`. Notice that `check` runs checks with non-installed plumed whereas `installcheck` uses the installed one, including its correct program name if it was personalized (e.g. with suffixes). Notice that this modifies the previously available `check` target. + diff --git a/VERSION b/VERSION index f923932aee6c5421d0c70ca153e18c5707772773..c0fcc94f47e0d9a2ffeca486acab3641212d3b42 100644 --- a/VERSION +++ b/VERSION @@ -5,4 +5,4 @@ # (this is same as gromacs) # Notice that "plumed --version" will return only 2.X # and "plumed --long-version" will return the full string -2.4b +2.4.0