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explain more steps of the release process related to building packages

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This commit is contained in:
Axel Kohlmeyer
2025-02-06 17:32:39 -05:00
parent a547b9a417
commit c9f41f9d90
3 changed files with 264 additions and 25 deletions
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178
.github/release_steps.md vendored
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@ -35,7 +35,7 @@ document, last minute trivial(!) changes).
This PR shall not be merged before **all** pending tests have completed This PR shall not be merged before **all** pending tests have completed
and cleared. We currently use a mix of automated tests running on and cleared. We currently use a mix of automated tests running on
either Temple's Jenkins cluster or GitHub workflows. Those include time either Temple's Jenkins cluster or GitHub workflows. Those include time
consuming tests not run on pull requests. If needed, a bugfix pull consuming tests not run on pull requests. If needed, a bug-fix pull
request should be created and merged to clear all tests. request should be created and merged to clear all tests.
### Create release on GitHub ### Create release on GitHub
@ -56,7 +56,7 @@ git pull
git checkout release git checkout release
git pull git pull
git merge --ff-only develop git merge --ff-only develop
git tag -s -m "LAMMPS feature release 19 November 2024" patch_19Nov2024 git tag -s -m "LAMMPS feature release 4 February 2025" patch_4Feb2025
git push git@github.com:lammps/lammps.git --tags develop release git push git@github.com:lammps/lammps.git --tags develop release
``` ```
@ -77,7 +77,7 @@ release page with a summary of all the changes included and references
to the pull requests they were merged from or check the existing draft to the pull requests they were merged from or check the existing draft
for any necessary changes from pull requests that were merged but are for any necessary changes from pull requests that were merged but are
not listed. Then select the applied tag for the release in the "Choose not listed. Then select the applied tag for the release in the "Choose
a tag" dropdown list. Go to the bottom of the list and select the "Set a tag" drop-down list. Go to the bottom of the list and select the "Set
as pre-release" checkbox. The "Set as the latest release" button is as pre-release" checkbox. The "Set as the latest release" button is
reserved for stable releases and updates to them. reserved for stable releases and updates to them.
@ -87,12 +87,18 @@ you can return to edit the release page and publish it.
### Prepare pre-compiled packages, update packages to GitHub ### Prepare pre-compiled packages, update packages to GitHub
Build a fully static LAMMPS installation using a musl-libc
cross-compiler, install into a lammps-static folder, and create a
tarball called lammps-linux-x86_64-19Nov2024.tar.gz (or using a
corresponding date with a future release) from the lammps-static folder.
A suitable build environment is provided with the A suitable build environment is provided with the
https://download.lammps.org/static/fedora37_musl.sif container image. https://download.lammps.org/static/fedora41_musl_mingw.sif container
image. The corresponding container build definition file is maintained
in the tools/singularity folder of the LAMMPS source distribution.
#### Fully portable static Linux x86_64 non-MPI binaries
The following commands use the Fedora container to build a fully static
LAMMPS installation using a musl-libc cross-compiler, install it into a
`lammps-static` folder, and create a tarball called
`lammps-linux-x86_64-4Feb2025.tar.gz` (or using a corresponding date
with a future release) from the `lammps-static` folder.
``` sh ``` sh
rm -rf release-packages rm -rf release-packages
@ -105,49 +111,173 @@ cmake -S lammps-release/cmake -B build-release -G Ninja -D CMAKE_INSTALL_PREFIX=
cmake --build build-release --target all cmake --build build-release --target all
cmake --build build-release --target install cmake --build build-release --target install
/usr/musl/bin/x86_64-linux-musl-strip lammps-static/bin/* /usr/musl/bin/x86_64-linux-musl-strip lammps-static/bin/*
tar -czvvf lammps-linux-x86_64-19Nov2024.tar.gz lammps-static tar -czvvf ../lammps-linux-x86_64-4Feb2025.tar.gz lammps-static
exit # fedora 41 container exit # fedora 41 container
cd ..
``` ```
The resulting tar archive can be uploaded to the GitHub release page with: The resulting tar archive can be uploaded to the GitHub release page with:
``` ``` sh
gh release upload patch_19Nov2024 lammps-linux-x86_64-19Nov2024.tar.gz gh release upload patch_4Feb2025 lammps-linux-x86_64-4Feb2025.tar.gz
``` ```
#### Linux x86_64 Flatpak bundle with GUI included
Make sure you have the `flatpak` and `flatpak-builder` packages Make sure you have the `flatpak` and `flatpak-builder` packages
installed locally (they cannot be used from the container) and build a installed locally (they require binaries that run with elevated
privileges and thus cannot be used from the container) and build a
LAMMPS and LAMMPS-GUI flatpak bundle in the `release-packages` folder LAMMPS and LAMMPS-GUI flatpak bundle in the `release-packages` folder
with: with:
``` sh ``` sh
cd release-packages
flatpak --user remote-add --if-not-exists flathub https://dl.flathub.org/repo/flathub.flatpakrepo flatpak --user remote-add --if-not-exists flathub https://dl.flathub.org/repo/flathub.flatpakrepo
flatpak-builder --force-clean --verbose --repo=$PWD/flatpak-repo --install-deps-from=flathub --state-dir=$PWD --user --ccache --default-branch=release flatpak-build lammps-release/tools/lammps-gui/org.lammps.lammps-gui.yml flatpak-builder --force-clean --verbose --repo=$PWD/flatpak-repo --install-deps-from=flathub --state-dir=$PWD --user --ccache --default-branch=release flatpak-build lammps-release/tools/lammps-gui/org.lammps.lammps-gui.yml
flatpak build-bundle --runtime-repo=https://flathub.org/repo/flathub.flatpakrepo --verbose $PWD/flatpak-repo LAMMPS-Linux-x86_64-GUI-19Nov2024.flatpak org.lammps.lammps-gui release flatpak build-bundle --runtime-repo=https://flathub.org/repo/flathub.flatpakrepo --verbose $PWD/flatpak-repo ../LAMMPS-Linux-x86_64-GUI-4Feb2025.flatpak org.lammps.lammps-gui release
cd ..
``` ```
The resulting flatpak bundle file can be uploaded to the GitHub release page with: The resulting flatpak bundle file can be uploaded to the GitHub release page with:
``` ``` sh
gh release upload patch_19Nov2024 LAMMPS-Linux-x86_64-GUI-19Nov2024.flatpak gh release upload patch_4Feb2025 LAMMPS-Linux-x86_64-GUI-4Feb2025.flatpak
``` ```
Also build serial executable packages that also include LAMMPS-GUI for #### LAMMPS Source tarball
Linux, macOS, and Windows, and upload them to the GitHub release.
Clean up: The container for the static binary can also be used to prepare the source
tarball including the HTML and PDF manual (this is currently done automatically
when the releases is created and the tarball uploaded to https://download.lammps.org/tars/).
The steps are as follows:
``` sh
cd release-packages
apptainer shell fedora41_musl_mingw.sif
cd lammps-release
rm -f ../release.tar*
git archive --output=../release.tar --prefix=lammps-4Feb2025/ HEAD
cd doc
make clean-all
make html pdf
tar -rf ../../release.tar --transform 's,^,lammps-4Feb2025/doc/,' html Manual.pdf
gzip -9v ../../release.tar
mv ../../release.tar.gz ../../lammps-src-4Feb2025.tar.gz
exit # fedora41 container
cd ..
```
The resulting source tarball can be uploaded to the GitHub release page with:
``` sh
gh release upload patch_4Feb2025 lammps-src-4Feb2025.tar.gz
```
#### Build Windows Installer Packages with MinGW Linux-to-Windows Cross-compiler
The various Windows installer packages can also be built with
apptainer container image.
``` sh
cd release-packages
apptainer shell fedora41_musl_mingw.sif
git clone --depth 10 https://github.com/lammps/lammps-packages.git lammps-packages
cd lammps-packages/mingw-cross
ln -sf ../../lammps-release lammps
./buildall.sh release >& mk.log & less +F mk.log
```
The installer with the GUI included can be uploaded to the GitHub release page with:
``` sh
ln -sf LAMMPS-64bit-GUI-4Feb2025.exe LAMMPS-Win10-64bit-GUI-4Feb2025.exe
gh release upload patch_4Feb2025 LAMMPS-Win10-64bit-GUI-4Feb2025.exe
```
The symbolic link is used to have a consistent naming scheme for the packages
attached to the GitHub release page.
#### Clean up:
``` sh ``` sh
cd .. cd ..
rm -r release-packages rm -r release-packages
``` ```
TODO: #### Build Multi-arch App-bundle for macOS
- add detailed commands for building GUI packages on Ubuntu 20.04LTS (move to 22.04LTS?),
macOS, and Windows cross-compiler and upload to GitHub
- build all Windows cross-compiled installer packages using lammps-packages repo
### Update download website Building app-bundles for macOS is not as easily automated and portable
as some of the other steps. It requires a machine actually running
macOS. In that machine the Xcode compiler package needs to be
installed. This also includes tools for building and manipulating disk
images. This compiler supports building executables for both, the
x86_64 and the arm64 architectures. This requires building with CMake
and using the CMake settings:
``` sh
-D CMAKE_OSX_ARCHITECTURES=arm64;x86_64
-D CMAKE_OSX_DEPLOYMENT_TARGER=11.0
```
This will add the compiler flags `-arch arm64 -arch x86_64
-mmacosx-version-min=11.0` and thus produce object for both
architectures and support for macOS versions back to version 11 (aka Big
Sur). With these settings the following libraries should be compiled
and installed (e.g. to `$HOME/.local`) as static libraries only:
- libomp taken from the LLVM/Clang source distribution (to support OpenMP)
- jpeg
- zlib
- png
- Qt (for LAMMPS-GUI)
When configuring LAMMPS the `cmake/presets/clang.cmake` should be used
and as many packages as possible enabled. For LAMMPS-GUI, MPI should be
disabled with `-D BUILD_MPI=OFF` and LAMMPS-GUI enabled with
`-D BUILD_LAMMPS_GUI=ON`. If the CMake configuration is successful,
settings for building a macOS app-bundle are enabled and with `cmake
--build build --target dmg` extra steps will be executed that will build
a macOS application installer image under the name
`LAMMPS_GUI-macOS-multiarch-4Feb2025.dmg`
The application image can be uploaded to the GitHub release page with:
``` sh
ln -sf LAMMPS_GUI-macOS-multiarch-4Feb2025.dmg LAMMPS-macOS-multiarch-GUI-4Feb2025.dmg
gh release upload patch_4Feb2025 LAMMPS-macOS-multiarch-GUI-4Feb2025.dmg
```
The symbolic link is used to have a consistent naming scheme for the packages
attached to the GitHub release page.
We are currently building the application images on macOS 12 (aka Monterey).
#### Build Linux x86_64 binary tarball on Ubuntu 20.04LTS
While the flatpak Linux version uses portable runtime libraries provided
by the flatpak environment, we also build regular Linux executables that
use a wrapper script and matching shared libraries in a tarball. To be
compatible with many Linux distributions, one has to build this on a
very old Linux distribution, since most Linux system libraries are
usually backward compatible but not forward compatible. This is
currently done on an Ubuntu 20.04LTS system. Once LAMMPS moves to
require CMake 3.20 and C++17, we will have to move to Ubuntu 22.04LTS.
This installation (either on a real or a virtual machine) should have
the packages installed that are indicated in
`tools/singularity/ubuntu20.04.def` plus Qt version 5.x with development
headers, so that LAMMPS-GUI can be compiled.
Also the building of the binary tarball and setup of the bundled
libraries and wrapper scripts is automated and can executed with `cmake
--build build --target tgz`. This should produce a file
`LAMMPS_GUI-Linux-amd64-4Feb2025.tar.gz` which can be uploaded to the
GitHub release page with:
``` sh
ln -sf LAMMPS_GUI-Linux-amd64-4Feb2025.tar.gz LAMMPS-Linux-x86_64-GUI-4Feb2025.tar.gz
gh release upload patch_4Feb2025 LAMMPS-Linux-x86_64-GUI-4Feb2025.tar.gz
```
### Update download page on LAMMPS website
Check out the LAMMPS website repo Check out the LAMMPS website repo
https://github.com/lammps/lammps-website.git and edit the file https://github.com/lammps/lammps-website.git and edit the file
@ -156,7 +286,7 @@ html` and review `html/download.html` Then add and commit to git and
push the changes to GitHub. The Temple Jenkis cluster will push the changes to GitHub. The Temple Jenkis cluster will
automatically update https://www.lammps.org/download.html accordingly. automatically update https://www.lammps.org/download.html accordingly.
Notify Steve of the release so he can update `src/bug.txt` on the Also notify Steve of the release so he can update `src/bug.txt` on the
website from the available release notes. website from the available release notes.
## LAMMPS Stable Release ## LAMMPS Stable Release

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tools/singularity/README.md
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@ -1,6 +1,6 @@
# Apptainer (aka Singularity) container definitions for compiling/testing LAMMPS # Apptainer (aka Singularity) container definitions for compiling/testing LAMMPS
The *.def files in this folder can be used to build container images The \*.def files in this folder can be used to build container images
for [Apptainer](https://apptainer.org) (previously called for [Apptainer](https://apptainer.org) (previously called
[Singularity](https://sylabs.io)), suitable for compiling and testing [Singularity](https://sylabs.io)), suitable for compiling and testing
LAMMPS on a variety of OS variants with support for most standard LAMMPS on a variety of OS variants with support for most standard

109
tools/singularity/fedora41_musl_mingw.def Normal file
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@ -0,0 +1,109 @@
BootStrap: docker
From: fedora:41
%setup
curl -L -o musl-gcc-f37.tar.gz https://download.lammps.org/static/musl-gcc-f37.tar.gz
cp musl-gcc-f37.tar.gz ${APPTAINER_ROOTFS}
%post
dnf -y update
dnf -y install vim-enhanced git file make cmake patch which file \
ninja-build libomp-devel diffutils dos2unix findutils rsync \
ccache gcc-c++ gcc-gfortran gdb valgrind python3-pyyaml \
enchant enchant2 python3-enchant python3-virtualenv doxygen latexmk \
texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
texlive-framed texlive-wrapfig texlive-upquote texlive-capt-of texlive-pict2e \
texlive-needspace texlive-titlesec texlive-anysize texlive-dvipng texlive-xindy \
texlive-fontawesome texlive-ellipse texlive-tex-gyre \
mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
mingw64-filesystem mingw64-pkg-config \
mingw64-crt mingw64-headers mingw64-binutils \
mingw64-cpp mingw64-gcc mingw64-gcc-gfortran mingw64-gcc-c++ \
mingw64-curl \
mingw64-libgomp \
mingw64-winpthreads \
mingw64-eigen3 \
mingw64-fftw \
mingw64-libjpeg-turbo \
mingw64-libpng \
mingw64-python3 \
mingw64-python3-numpy \
mingw64-python3-pyyaml \
mingw64-python3-setuptools \
mingw64-readline \
mingw64-termcap \
mingw64-tcl \
mingw64-tk \
mingw64-zlib \
mingw64-zstd \
mingw64-qt5-qtdeclarative \
mingw64-qt5-qmldevtools \
mingw64-qt5-qmldevtools-devel \
mingw64-qt5-qttools-tools \
mingw64-qt5-qtcharts \
mingw64-qt5-qttools \
mingw64-qt5-qmake \
mingw64-qt5-qtbase \
mingw64-qt5-qtbase-devel \
mingw64-qt5-qtbase-static \
dnf clean all
# install musl-libc Linux-2-Linux cross-compiler
tar -C /usr/ -xvf /musl-gcc-f37.tar.gz
rm -f /musl-gcc-f37.tar.gz
# install NSIS EnVar plugin
curl -L -o EnVar_plugin.zip https://nsis.sourceforge.io/mediawiki/images/7/7f/EnVar_plugin.zip
unzip -d /usr/share/nsis EnVar_plugin.zip
rm EnVar_plugin.zip
# create missing termcap pkgconfig file
cat > /usr/x86_64-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
exec_prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
libdir=/usr/x86_64-w64-mingw32/sys-root/mingw/lib
includedir=/usr/x86_64-w64-mingw32/sys-root/mingw/include
Name: Termcap
Description: GNU/MinGW terminal feature database
URL: ftp://ftp.gnu.org/gnu/termcap/
Version: 1.3
Libs: -L\${libdir} -ltermcap
Cflags:
EOF
# set custom prompt indicating the container name
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
cat >$CUSTOM_PROMPT_ENV <<EOF
#!/bin/bash
PS1="[fedora41/musl-mingw:\u@\h] \W> "
EOF
chmod 755 $CUSTOM_PROMPT_ENV
%environment
# we need to reset any module variables
# inherited from the host.
unset __LMOD_REF_COUNT__LMFILES_
unset __LMOD_REF_COUNT_PATH
unset __LMOD_REF_COUNT_LD_LIBRARY_PATH
unset __LMOD_REF_COUNT_MANPATH
unset __LMOD_REF_COUNT_MODULEPATH
unset __LMOD_REF_COUNT_LOADEDMODULES
unset _LMFILES_
unset MODULEPATH
unset MODULESHOME
unset MODULEPATH_ROOT
unset LOADEDMODULES
unset LMOD_SYSTEM_DEFAULT_MODULES
. /etc/profile
# tell OpenMPI to not try using Infiniband
OMPI_MCA_btl="^openib"
# do not warn about unused components as this messes up testing
OMPI_MCA_btl_base_warn_component_unused="0"
export OMPI_MCA_btl OMPI_MCA_btl_base_warn_component_unused
%labels
Author akohlmey