From b8b103df283c5cfa9a240e3ca0dd3a6ad828f1e4 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 25 Aug 2024 16:37:25 -0400 Subject: [PATCH 1/4] update version strings --- doc/lammps.1 | 4 ++-- src/version.h | 3 +-- 2 files changed, 3 insertions(+), 4 deletions(-) diff --git a/doc/lammps.1 b/doc/lammps.1 index 00d8a4f61ff..75581bd008c 100644 --- a/doc/lammps.1 +++ b/doc/lammps.1 @@ -1,7 +1,7 @@ -.TH LAMMPS "1" "27 June 2024" "2024-06-27" +.TH LAMMPS "1" "29 August 2024" "2024-08-29" .SH NAME .B LAMMPS -\- Molecular Dynamics Simulator. Version 27 June 2024 +\- Molecular Dynamics Simulator. Version 29 August 2024 .SH SYNOPSIS .B lmp diff --git a/src/version.h b/src/version.h index af7e87b61f3..7ef4ade45e1 100644 --- a/src/version.h +++ b/src/version.h @@ -1,2 +1 @@ -#define LAMMPS_VERSION "27 Jun 2024" -#define LAMMPS_UPDATE "Development" +#define LAMMPS_VERSION "29 Aug 2024" From c68981c7fc141164f180da6335dc5c2eca93ff27 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 25 Aug 2024 16:37:49 -0400 Subject: [PATCH 2/4] build LAMMPS-GUI flatpack from release branch of the official repo --- tools/lammps-gui/org.lammps.lammps-gui.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tools/lammps-gui/org.lammps.lammps-gui.yml b/tools/lammps-gui/org.lammps.lammps-gui.yml index 26f35531ce8..548c4ce93e3 100644 --- a/tools/lammps-gui/org.lammps.lammps-gui.yml +++ b/tools/lammps-gui/org.lammps.lammps-gui.yml @@ -108,5 +108,5 @@ modules: - -D BUILD_TOOLS=yes sources: - type: git - url: https://github.com/akohlmey/lammps.git - branch: collected-small-fixes + url: https://github.com/lammps/lammps.git + branch: release From fa373eb6852f96366de109bac7679d7fe9cea547 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 25 Aug 2024 16:39:13 -0400 Subject: [PATCH 3/4] update pending version tags with planned release date --- doc/src/Build_settings.rst | 2 +- doc/src/Commands_removed.rst | 2 +- doc/src/Packages_details.rst | 2 +- doc/src/Run_options.rst | 2 +- doc/src/bond_rheo_shell.rst | 2 +- doc/src/compute_rheo_property_atom.rst | 2 +- doc/src/fix_meso_move.rst | 2 +- doc/src/fix_mvv_dpd.rst | 2 +- doc/src/fix_rheo.rst | 2 +- doc/src/fix_rheo_oxidation.rst | 2 +- doc/src/fix_rheo_pressure.rst | 2 +- doc/src/fix_rheo_thermal.rst | 2 +- doc/src/fix_rheo_viscosity.rst | 2 +- doc/src/fix_rigid_meso.rst | 2 +- doc/src/fix_shake.rst | 2 +- doc/src/fix_smd_integrate_tlsph.rst | 2 +- doc/src/fix_smd_integrate_ulsph.rst | 2 +- doc/src/geturl.rst | 2 +- doc/src/neigh_modify.rst | 2 +- doc/src/pair_rheo.rst | 2 +- doc/src/pair_rheo_solid.rst | 2 +- doc/src/variable.rst | 2 +- python/lammps/core.py | 4 ++-- src/library.cpp | 6 +++--- 24 files changed, 27 insertions(+), 27 deletions(-) diff --git a/doc/src/Build_settings.rst b/doc/src/Build_settings.rst index dc79cc3ed96..9d31f6b4318 100644 --- a/doc/src/Build_settings.rst +++ b/doc/src/Build_settings.rst @@ -492,7 +492,7 @@ during a run. Support for downloading files ----------------------------- -.. versionadded:: TBD +.. versionadded:: 29Aug2024 The :doc:`geturl command ` command uses the `the libcurl library `_ to download files. This requires that diff --git a/doc/src/Commands_removed.rst b/doc/src/Commands_removed.rst index f902a615157..ea8b3d4b037 100644 --- a/doc/src/Commands_removed.rst +++ b/doc/src/Commands_removed.rst @@ -171,7 +171,7 @@ instructions to install i-PI from PyPI via pip are provided. LAMMPS shell ------------ -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 The LAMMPS shell has been removed from the LAMMPS distribution. Users are encouraged to use the :ref:`LAMMPS-GUI ` tool instead. diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index 4483601a887..e87610fb31c 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -2642,7 +2642,7 @@ This package has :ref:`specific installation instructions ` on the :doc:`B **Authors:** Joel T. Clemmer (Sandia National Labs), Thomas C. O'Connor (Carnegie Mellon University) -.. versionadded:: TBD +.. versionadded:: 29Aug2024 **Supporting info:** diff --git a/doc/src/Run_options.rst b/doc/src/Run_options.rst index 86e8e476268..4f7021cd53a 100644 --- a/doc/src/Run_options.rst +++ b/doc/src/Run_options.rst @@ -508,7 +508,7 @@ e.g. the *nfile* and *fileper* keywords. See the **-restart2info restartfile keyword ...** -.. versionadded:: TBD +.. versionadded:: 29Aug2024 Write out some info about the restart file and and immediately exit. This is the same operation as if the following 2-line input script were diff --git a/doc/src/bond_rheo_shell.rst b/doc/src/bond_rheo_shell.rst index 992917c1045..090f5ab7aa0 100644 --- a/doc/src/bond_rheo_shell.rst +++ b/doc/src/bond_rheo_shell.rst @@ -38,7 +38,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 The *rheo/shell* bond style is designed to work with :doc:`fix rheo/oxidation ` which creates candidate diff --git a/doc/src/compute_rheo_property_atom.rst b/doc/src/compute_rheo_property_atom.rst index f34b2225f5e..2e905b97be5 100644 --- a/doc/src/compute_rheo_property_atom.rst +++ b/doc/src/compute_rheo_property_atom.rst @@ -55,7 +55,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 Define a computation that stores atom attributes specific to the RHEO package for each atom in the group. This is useful so that the values diff --git a/doc/src/fix_meso_move.rst b/doc/src/fix_meso_move.rst index 64b451b7f1c..d5e1bba4467 100644 --- a/doc/src/fix_meso_move.rst +++ b/doc/src/fix_meso_move.rst @@ -247,7 +247,7 @@ defined by the :doc:`atom_style sph ` command. All particles in the group must be mesoscopic SPH/SDPD particles. -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 This fix is incompatible with deformation controls that remap velocity, for instance the *remap v* option of :doc:`fix deform `. diff --git a/doc/src/fix_mvv_dpd.rst b/doc/src/fix_mvv_dpd.rst index e64a162bf42..44883e92add 100644 --- a/doc/src/fix_mvv_dpd.rst +++ b/doc/src/fix_mvv_dpd.rst @@ -97,7 +97,7 @@ These fixes are part of the DPD-MESO package. They are only enabled if LAMMPS was built with that package. See the :doc:`Build package ` page for more info. -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 This fix is incompatible with deformation controls that remap velocity, for instance the *remap v* option of :doc:`fix deform `. diff --git a/doc/src/fix_rheo.rst b/doc/src/fix_rheo.rst index 3c7f8449c77..29776622385 100644 --- a/doc/src/fix_rheo.rst +++ b/doc/src/fix_rheo.rst @@ -44,7 +44,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 Perform time integration for RHEO particles, updating positions, velocities, and densities. For an overview of other features available in the RHEO package, diff --git a/doc/src/fix_rheo_oxidation.rst b/doc/src/fix_rheo_oxidation.rst index ba3ead3f1f1..dc22ed304a8 100644 --- a/doc/src/fix_rheo_oxidation.rst +++ b/doc/src/fix_rheo_oxidation.rst @@ -27,7 +27,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 This fix dynamically creates bonds on the surface of fluids to represent physical processes such as oxidation. It is intended diff --git a/doc/src/fix_rheo_pressure.rst b/doc/src/fix_rheo_pressure.rst index 40d623ae076..2a714b298ba 100644 --- a/doc/src/fix_rheo_pressure.rst +++ b/doc/src/fix_rheo_pressure.rst @@ -33,7 +33,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 This fix defines a pressure equation of state for RHEO particles. One can define different equations of state for different atom types. An equation diff --git a/doc/src/fix_rheo_thermal.rst b/doc/src/fix_rheo_thermal.rst index cf245cbdca1..214bc1db861 100644 --- a/doc/src/fix_rheo_thermal.rst +++ b/doc/src/fix_rheo_thermal.rst @@ -48,7 +48,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 This fix performs time integration of temperature for atom style rheo/thermal. In addition, it defines multiple thermal properties of particles and handles diff --git a/doc/src/fix_rheo_viscosity.rst b/doc/src/fix_rheo_viscosity.rst index 5bc1b2a2104..804059e6f86 100644 --- a/doc/src/fix_rheo_viscosity.rst +++ b/doc/src/fix_rheo_viscosity.rst @@ -38,7 +38,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 This fix defines a viscosity for RHEO particles. One can define different viscosities for different atom types, but a viscosity must be specified for diff --git a/doc/src/fix_rigid_meso.rst b/doc/src/fix_rigid_meso.rst index 3f734e3fefa..6a9a85a8651 100644 --- a/doc/src/fix_rigid_meso.rst +++ b/doc/src/fix_rigid_meso.rst @@ -353,7 +353,7 @@ defined by the :doc:`atom_style sph ` command. All particles in the group must be mesoscopic SPH/SDPD particles. -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 This fix is incompatible with deformation controls that remap velocity, for instance the *remap v* option of :doc:`fix deform `. diff --git a/doc/src/fix_shake.rst b/doc/src/fix_shake.rst index 339d0fd68ca..434415eecf4 100644 --- a/doc/src/fix_shake.rst +++ b/doc/src/fix_shake.rst @@ -137,7 +137,7 @@ constrained (within a fudge factor of MASSDELTA specified in both bonds in the angle are constrained then the angle will also be constrained if its type is in the list. -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 The types may be given as type labels *only* if there is no atom, bond, or angle type label named *b*, *a*, *t*, or *m* defined in the diff --git a/doc/src/fix_smd_integrate_tlsph.rst b/doc/src/fix_smd_integrate_tlsph.rst index 44d4bab3a58..fce4c057c34 100644 --- a/doc/src/fix_smd_integrate_tlsph.rst +++ b/doc/src/fix_smd_integrate_tlsph.rst @@ -53,7 +53,7 @@ Restrictions This fix is part of the MACHDYN package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` page for more info. -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 This fix is incompatible with deformation controls that remap velocity, for instance the *remap v* option of :doc:`fix deform `. diff --git a/doc/src/fix_smd_integrate_ulsph.rst b/doc/src/fix_smd_integrate_ulsph.rst index 6b1e0707631..60dfb06a0e6 100644 --- a/doc/src/fix_smd_integrate_ulsph.rst +++ b/doc/src/fix_smd_integrate_ulsph.rst @@ -61,7 +61,7 @@ Restrictions This fix is part of the MACHDYN package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` page for more info. -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 This fix is incompatible with deformation controls that remap velocity, for instance the *remap v* option of :doc:`fix deform `. diff --git a/doc/src/geturl.rst b/doc/src/geturl.rst index 0ca0ce0cd35..acf1e21a3ec 100644 --- a/doc/src/geturl.rst +++ b/doc/src/geturl.rst @@ -32,7 +32,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 Download a file from an URL to the local disk. This is implemented with the `libcurl library `_ which supports a diff --git a/doc/src/neigh_modify.rst b/doc/src/neigh_modify.rst index 753990c93f6..bf87c8452cc 100644 --- a/doc/src/neigh_modify.rst +++ b/doc/src/neigh_modify.rst @@ -159,7 +159,7 @@ sample scenarios where this is useful: * When one or more rigid bodies are specified, interactions within each body can be turned off to save needless computation. See the :doc:`fix rigid ` command for more details. -.. versionchanged:: TBD +.. versionchanged:: 29Aug2024 Support for type labels was added. diff --git a/doc/src/pair_rheo.rst b/doc/src/pair_rheo.rst index 993ec3cee32..927d2f02663 100644 --- a/doc/src/pair_rheo.rst +++ b/doc/src/pair_rheo.rst @@ -31,7 +31,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 Pair style *rheo* computes pressure and viscous forces between particles in the :doc:`rheo package `. If thermal evolution is turned diff --git a/doc/src/pair_rheo_solid.rst b/doc/src/pair_rheo_solid.rst index 0b1ed47fb87..f71cba7bdb8 100644 --- a/doc/src/pair_rheo_solid.rst +++ b/doc/src/pair_rheo_solid.rst @@ -21,7 +21,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 29Aug2024 Style *rheo/solid* is effectively a copy of pair style :doc:`bpm/spring ` except it only applies forces diff --git a/doc/src/variable.rst b/doc/src/variable.rst index 330e44139ee..1867532efa2 100644 --- a/doc/src/variable.rst +++ b/doc/src/variable.rst @@ -1042,7 +1042,7 @@ label2type(), but returns 1 if the type label has been assigned, otherwise it returns 0. This function can be used to check if a particular type label already exists in the simulation. -.. versionadded:: TBD +.. versionadded:: 29Aug2024 The is_timeout() function returns 1 when the :doc:`timer timeout ` has expired otherwise it returns 0. This function can be used diff --git a/python/lammps/core.py b/python/lammps/core.py index 4fcda37d5d7..9e6329fe3cf 100644 --- a/python/lammps/core.py +++ b/python/lammps/core.py @@ -941,7 +941,7 @@ def extract_global(self, name, dtype=LAMMPS_AUTODETECT): def extract_pair_dimension(self, name): """Retrieve pair style property dimensionality from LAMMPS - .. versionadded:: TBD + .. versionadded:: 29Aug2024 This is a wrapper around the :cpp:func:`lammps_extract_pair_dimension` function of the C-library interface. The list of supported keywords @@ -970,7 +970,7 @@ def extract_pair_dimension(self, name): def extract_pair(self, name): """Extract pair style data from LAMMPS. - .. versionadded:: TBD + .. versionadded:: 29Aug2024 This is a wrapper around the :cpp:func:`lammps_extract_pair` function of the C-library interface. Since there are no pointers in Python, this diff --git a/src/library.cpp b/src/library.cpp index 097cffd68a1..324bfc5b9f9 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -1972,7 +1972,7 @@ void *lammps_extract_global(void *handle, const char *name) * \verbatim embed:rst -.. versionadded:: TBD +.. versionadded:: 29Aug2024 This function returns an integer that specified the dimensionality of the data that can be extracted from the current pair style with ``Pair::extract()``. @@ -2005,7 +2005,7 @@ int lammps_extract_pair_dimension(void * handle, const char *name) * \verbatim embed:rst -.. versionadded:: TBD +.. versionadded:: 29Aug2024 This function returns a pointer to data available from the current pair style with ``Pair::extract()``. The dimensionality of the returned @@ -5859,7 +5859,7 @@ int lammps_config_has_ffmpeg_support() { \verbatim embed:rst -.. versionadded::TBD +.. versionadded::29Aug2024 The LAMMPS :doc:`geturl command ` supports downloading files through using `the libcurl library `_. From 2581b1abfe03e8e4bf588081fdb3ecb75aff9ea1 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 28 Aug 2024 22:13:04 -0400 Subject: [PATCH 4/4] update change log info for flatpak --- tools/lammps-gui/lammps-gui.appdata.xml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/tools/lammps-gui/lammps-gui.appdata.xml b/tools/lammps-gui/lammps-gui.appdata.xml index 312abc66cfe..66a15223a2c 100644 --- a/tools/lammps-gui/lammps-gui.appdata.xml +++ b/tools/lammps-gui/lammps-gui.appdata.xml @@ -56,7 +56,8 @@ - + Resolve plugin mode issues. + Add -p command line flag to override path to liblammps.so