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Krzmbrzl merged 1 commit into from
Jan 16, 2026
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Deprecate INSTALL.md #458

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44 changes: 1 addition & 43 deletions INSTALL.md
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# Installation Guide


### TL;DR
While in the SeQuant source directory:
* `cmake -B build -S .`
* `cmake --build build --target check-sequant`

### Prerequisites
* mandatory:
* CMake 3.27 or later
* a C++20 compiler
* [Boost](https://www.boost.org/). *SeQuant can download and build Boost if configured with `Boost_FETCH_IF_MISSING=ON`, but the use of Boost provided by the system package manager is recommended.* The following non-header-only Boost libraries are required, hence Boost must be configured/built:
- [Boost.Regex](https://www.boost.org/doc/libs/master/libs/regex/doc/html/index.html)
- [Boost.Locale](https://www.boost.org/doc/libs/master/libs/locale/doc/html/index.html)
* [Range-V3](https://github.com/ericniebler/range-v3.git). *If not found, SeQuant will download and build Range-V3*
* [libPerm](https://github.com/Krzmbrzl/libPerm). *If not found, SeQuant will download and build libPerm*
* optional:
* for building coupled-cluster evaluation tests:
* [TiledArray](https://github.com/ValeevGroup/tiledarray.git)
* for building `stcc*` test programs
* [Eigen](http://eigen.tuxfamily.org/)

Minimum required versions of prerequisites, including the versions of prerequisites installed from source, can be found in `external/versions.cmake`.

### Configure

From the SeQuant source directory run the following command to configure the build harness:
* `cmake -B build -S .`

#### Useful CMake variables
* [`BUILD_TESTING`](https://cmake.org/cmake/help/latest/module/CTest.html) --- enables unit tests targets, e.g. `check-sequant` [default=ON]
* [`CMAKE_CXX_COMPILER`](https://cmake.org/cmake/help/latest/variable/CMAKE_LANG_COMPILER.html#variable:CMAKE_%3CLANG%3E_COMPILER) --- specifies the C++ compiler to use
* [`CMAKE_PREFIX_PATH`](https://cmake.org/cmake/help/latest/variable/CMAKE_PREFIX_PATH.html) --- this semicolon-separated list specifies search paths for dependencies (Boost, Range-V3, etc.)
* [`CMAKE_INSTALL_PREFIX`](https://cmake.org/cmake/help/latest/variable/CMAKE_INSTALL_PREFIX.html) --- the installation path for SeQuant
* `SEQUANT_MIMALLOC` --- use [mimalloc](https://github.com/microsoft/mimalloc) for fast memory allocation
* `SEQUANT_PYTHON` --- enables building of Python bindings
* `Boost_FETCH_IF_MISSING` --- if set to `ON`, SeQuant will download and build Boost if it is not found by `find_package(Boost ...)`; this is not recommended. [default=OFF]
* `SEQUANT_CONTEXT_MANIPULATION_THREADSAFE` --- set to `OFF` if you will initialize the default context and change its state from a single thread only (most users will want to do this). [default=ON]

### Build

To build, test, and install SeQuant, run the following commands:
* `cmake --build build`
* (optional) `cmake --build build --target check-sequant`
* `cmake --build build --target install`
See instructions [online](https://valeevgroup.github.io/SeQuant/user/getting_started/installing.html) or in [docs/](doc/user/getting_started/installing.rst)