Standalone and integrated packages

An OQP Studio release contains three related distributions. They use the same OpenQP input and output formats, but they serve different purposes.

Distribution	Contains	Use it when
OQP Studio standard package	Desktop interface and Studio service	OpenQP is already installed locally, or the engine will be installed separately
Standalone OpenQP engine	Command-line openqp program, libraries, basis data, and examples	Calculations will run without the Studio interface, or one engine installation will be shared with scripts
OQP Studio with-engine package	Desktop interface, Studio service, and a bundled OpenQP engine	A complete offline desktop installation is preferred

The word standalone in an asset such as openqp-1.3.1-macos-arm64.zip refers to the command-line OpenQP engine. The standard OQP Studio installer is a separate, smaller download. The with-engine installer combines Studio and an engine in one package.

Which package should I choose?

Choose with-engine for the simplest first installation. It works without a second engine download, and OpenQP (bundled) records the engine version used for a calculation.

Choose the standard Studio package when a local development build of OpenQP must be tested, disk space is limited, or engine updates should be managed separately. In Execution, select OpenQP (local) and verify the displayed path and version before starting a job.

Choose the standalone engine when no graphical interface is required. It can also supply the local runner for the standard Studio package after its openqp executable is placed on the application's search path.

Release asset names

Replace 0.2.3 and 1.3.1 below with the versions shown on the OpenQP releases page.

macOS

Machine	Standard Studio	Integrated Studio	Standalone engine
Apple Silicon (arm64)	OQP-Studio-0.2.3-macos-apple-silicon.dmg	OQP-Studio-0.2.3-macos-apple-silicon-with-engine.dmg	openqp-1.3.1-macos-arm64.zip
Intel (x86_64)	OQP-Studio-0.2.3-macos-intel.dmg	OQP-Studio-0.2.3-macos-intel-with-engine.dmg	openqp-1.3.1-macos-x86_64.zip

Each macOS Studio build also has an .app.tar.gz alternative for terminal installation.

Windows and Linux

Platform	Standard Studio	Integrated Studio	Standalone engine
Windows x64	OQP-Studio-0.2.3-windows-x64-setup.exe	OQP-Studio-0.2.3-windows-x64-with-engine-setup.exe	openqp-1.3.1-windows-x86_64.zip
Debian/Ubuntu x86_64	OQP-Studio-0.2.3-linux-x86_64.deb	OQP-Studio-0.2.3-linux-x86_64-with-engine.deb	openqp-1.3.1-linux-x86_64.tar.gz
Other x86_64 Linux	OQP-Studio-0.2.3-linux-x86_64.AppImage	Use the standard AppImage with a standalone engine	openqp-1.3.1-linux-x86_64.tar.gz
Linux AArch64	No Studio installer	No Studio installer	openqp-1.3.1-linux-aarch64.tar.gz

The integrated Linux package is currently distributed as a .deb; there is no with-engine AppImage. The integrated Windows package uses the interactive .exe installer; the standard package additionally provides an .msi for managed deployment.

Verify a download

Download SHA256SUMS from the same release. On macOS, verify one selected file with:

FILE=OQP-Studio-0.2.3-macos-apple-silicon-with-engine.dmg
grep "  $FILE$" SHA256SUMS | shasum -a 256 -c -

On Linux:

FILE=OQP-Studio-0.2.3-linux-x86_64-with-engine.deb
grep "  $FILE$" SHA256SUMS | sha256sum -c -

On Windows PowerShell:

Get-FileHash .\OQP-Studio-0.2.3-windows-x64-with-engine-setup.exe -Algorithm SHA256

Compare the displayed Windows hash with the corresponding line in SHA256SUMS.

Use the standalone engine

The standalone archive is self-contained; a separate Python or OpenQP installation is not required.

macOS

mkdir -p "$HOME/Applications/openqp-1.3.1"
cd "$HOME/Applications/openqp-1.3.1"
unzip "$HOME/Downloads/openqp-1.3.1-macos-arm64.zip"
OMP_NUM_THREADS=4 ./openqp calculation.oqp

Use the macos-x86_64 archive on an Intel Mac. If macOS quarantines the extracted files after a browser download, verify the archive first and then run:

xattr -dr com.apple.quarantine "$HOME/Applications/openqp-1.3.1"

Linux

mkdir -p "$HOME/opt"
tar xzf openqp-1.3.1-linux-x86_64.tar.gz -C "$HOME/opt"
OMP_NUM_THREADS=4 "$HOME/opt/openqp/openqp" calculation.oqp

Windows PowerShell

New-Item -ItemType Directory -Force "$HOME\OpenQP\1.3.1" | Out-Null
Expand-Archive .\openqp-1.3.1-windows-x86_64.zip "$HOME\OpenQP\1.3.1"
$env:OMP_NUM_THREADS = "4"
& "$HOME\OpenQP\1.3.1\openqp.exe" .\calculation.oqp

The calculation writes its .log, .json, .molden, trajectory, and other requested output files beside the input unless the input or caller specifies a different working directory.

Use the integrated package

Install the with-engine asset using the platform instructions in Installing OQP Studio. Then:

1. Open Execution.
2. Select OpenQP (bundled).
3. Confirm that the bundled runner has a check mark and a version.
4. Select the number of threads and results directory.
5. Run the generated .oqp input.

The bundled engine is private to that application installation. Updating a system Python package or another openqp executable does not replace it. To update both Studio and the bundled engine, install a newer with-engine package. Existing projects remain in the selected results directory.

Use the standard Studio package with a local engine

Install OpenQP separately with the package instructions in the main Installation chapter, or extract a standalone engine and make its executable available to Studio. Restart Studio after changing the search path. In Execution, select OpenQP (local) only after checking the displayed executable path and version.

The standard package can also obtain a managed engine through Execution > Install compute engine when that command is available. This requires network access. It is not needed by a with-engine installation.

Updating and removing packages

• Replacing Studio does not delete projects stored outside the application.
• Replacing a standalone engine directory does not update an engine embedded in a with-engine application.
• Removing Studio does not remove a separately installed local or standalone OpenQP engine.
• Keep the old engine when a calculation must be reproduced with its original version; select the corresponding local executable in Execution.

Record the Studio version, runner name, OpenQP version, input, and output files with any calculation that must be reproduced.