From 4e8909d9cdaba588085addc17b64d80b31bb98fa Mon Sep 17 00:00:00 2001 From: Evgeny Posenitskiy <45995097+q-posev@users.noreply.github.com> Date: Wed, 11 Jan 2023 19:03:57 +0100 Subject: [PATCH 1/2] Add extern C pre-processing macro for C++ --- src/templates_front/templator_front.org | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/src/templates_front/templator_front.org b/src/templates_front/templator_front.org index f4133b6..132103f 100644 --- a/src/templates_front/templator_front.org +++ b/src/templates_front/templator_front.org @@ -25,6 +25,10 @@ #ifndef TREXIO_H #define TREXIO_H +#ifdef __cplusplus +extern "C" { +#endif + #include #include @@ -6197,6 +6201,11 @@ contains * File suffixes :noexport: #+begin_src c :tangle suffix_front.h + +#ifdef __cplusplus +} +#endif + #endif #+end_src From c8e37863c7eae1c30f5f1955313a7f76d9f1b2c3 Mon Sep 17 00:00:00 2001 From: Evgeny Posenitskiy <45995097+q-posev@users.noreply.github.com> Date: Wed, 11 Jan 2023 19:34:27 +0100 Subject: [PATCH 2/2] Update README --- README.md | 23 +++++++++++++++++------ 1 file changed, 17 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index 9d5c364..fd5e058 100644 --- a/README.md +++ b/README.md @@ -5,7 +5,7 @@ [![build](https://github.com/TREX-CoE/trexio/actions/workflows/actions.yml/badge.svg)](https://github.com/TREX-CoE/trexio/actions/workflows/actions.yml) ![GitHub release (latest by date)](https://img.shields.io/github/v/release/TREX-CoE/trexio) -TREX library for efficient I/O. +TREX library for efficient I/O. ## Minimal requirements (for users): @@ -37,6 +37,8 @@ TREX library for efficient I/O. - Emacs (>= 26.0) - SWIG (>= 4.0) [required for the Python API] +**Note:** The source code is auto-generated from the Emacs org-mode (`.org`) files following the literate programming approach. This is why the `src` directory is initially empty. + ## Installation procedure from the GitHub repo clone (for developers): 1. `git clone https://github.com/TREX-CoE/trexio.git` @@ -83,13 +85,10 @@ The official releases of TREXIO `>=2.0.0` can be installed using the [GNU Guix](https://guix.gnu.org) functional package manager. The [trexio.scm](https://github.com/TREX-CoE/trexio/blob/master/tools/trexio.scm) Schema file contains the manifest specification for the `trexio` package. -It can be installed within the selected `$GUIX_PROFILE` as follows: +It can be installed as follows: ``` -guix package \ - --profile=$GUIX_PROFILE \ - --cores= \ - --install-from-file=trexio.scm +guix package --cores= --install-from-file=trexio.scm ``` ## Installation procedure for Spack users @@ -104,6 +103,18 @@ It can be installed as follows spack install --jobs trexio ``` +## Installation procedure for Debian/Ubuntu users + +The official release of TREXIO `2.2.0` is available as a Debian (`.deb`) package thanks to the [Debichem Team](https://wiki.debian.org/Debichem). +The source code is hosted [here](https://salsa.debian.org/debichem-team/libtrexio) and +the pre-built binary files are available via the [Debian package registry](https://packages.debian.org/bookworm/libtrexio-dev). + +TREXIO is also available on [Ubuntu 23.04 (Lunar Lobster)](https://packages.ubuntu.com/lunar/libtrexio-dev) and newer and can be installed as follows: + +``` +sudo apt-get update && sudo apt-get install libtrexio-dev +``` + ## Compilation without the HDF5 library By default, the configuration step proceeds to search for the [HDF5 library](https://portal.hdfgroup.org/display/HDF5/HDF5).