https://github.com/pierre-24/libcint-meson

libcint Meson wraps
https://github.com/pierre-24/libcint-meson

libcint meson mesonbuild std-dft stda

Last synced: about 1 month ago
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libcint Meson wraps

• Host: GitHub
• URL: https://github.com/pierre-24/libcint-meson
• Owner: pierre-24
• License: mit
• Created: 2024-04-03T17:57:05.000Z (9 months ago)
• Default Branch: main
• Last Pushed: 2024-04-07T20:24:12.000Z (9 months ago)
• Last Synced: 2024-04-08T17:57:30.440Z (9 months ago)
• Topics: libcint, meson, mesonbuild, std-dft, stda
• Language: Meson
• Homepage:
• Size: 29.3 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# libcint (Meson wraps)

This project create ready-to-go archives and corresponding [wrap files](https://mesonbuild.com/Wrap-dependency-system-manual.html) of [`libcint`](https://github.com/sunqm/libcint) for your Meson builds.

The different wraps are available with corresponding archives [here](https://github.com/pierre-24/libcint-meson/releases/tag/v0.3.0) (pre-releases versions are available [here](https://github.com/pierre-24/libcint-meson/releases/tag/latest), but their hash changes without notice).

Note that [extra integrals are enabled](generate.patch) in order for the code to be used in some projects ([`stdlite`](https://github.com/pierre-24/stdlite) and [`stda`](https://github.com/grimme-lab/stda)), but this should not prevent you from using it.

## Usage

Just grab the wrap file corresponding to the version you want to use ...

```bash

# in your super project root folder

# create a `subprojects` folder if it does not exists yet

mkdir subprojects

# download wrap file, here for libcint v6.1.2:

wget https://github.com/pierre-24/libcint-meson/releases/download/v0.3.0/libcint_v6.1.2.wrap -O subprojects/libcint.wrap

```

... and add something like this in your `meson.build`:

```Meson

cc = meson.get_compiler('c')

libcint_dep = cc.find_library('libcint', required: false)

if not libcint_dep.found()

  libcint_proj = subproject('libcint', default_options: [])

  libcint_dep = libcint_proj.get_variable('libcint_dep')

endif

project_dep += libcint_dep

```

You can check out the options in [`meson_options.txt`](./for-meson/meson_options.txt)

## Development

To use the different scripts, you need `clisp`, `meson`, `ninja` and `cmake`.

They are most probably available in your favorite package manager.

[`generate.sh`](generate.sh) is the script used to generate the archive and wrap file. 

In practice, it:

1. downloads `libcint`, 

2. applies  [the patch](generate.patch), 

3. re-generates the integrals with [`scripts/auto_intor.cl`](https://github.com/sunqm/libcint/blob/master/scripts/auto_intor.cl),

4. adds [the Meson files](for-meson/), and 

5. generates both the archive and wrap file.

You can run that script locally to explore the modifications.

[`tests.sh`](test.sh) is the script used to run a test suite.

In practice, each folder in [`for-tests`](for-tests) that starts with `test_meson` is:

1. copied in a testing folder, then

2. a `subproject/libcint` folder is filled with the previously created archive,  then

3. `meson setup` and `meson compile` ensue, and then

4. the output of the resulting program (by convention, `test_libcint`) is compared with `EXPECTED` (it should match).