30 commits

Author	SHA1	Message	Date
Ole Schütt	934a489bed	Docs: Add Sphinx-based manual	2023-06-08 10:46:10 +02:00
Ole Schütt	12c03de0ba	Reformat with black 23.3.0	2023-05-02 12:31:58 +02:00
Ole Schütt	fcb0f647ee	Add support for Torch which is needed by NequIP	2022-11-30 11:54:22 +01:00
Ole Schütt	786bc82ff9	precommit: Switch from markdownlint to mdformat	2022-11-06 16:15:27 +01:00
Ole Schütt	83879e1e52	precommit: Add type annotations to precommit.py	2022-07-16 13:58:47 +02:00
Ole Schütt	8c9193c8b1	precommit: Ignore .log files	2022-07-16 13:58:47 +02:00
Ole Schütt	bd979643ea	Makefile: Use .cu extension also for HIP kernels	2022-03-20 19:41:51 +01:00
Ole Schütt	4444c6aef6	Makefile: Extend file naming convention to include HIP	2022-03-10 18:54:33 +01:00
Ole Schuett	e974820ca4	precommit: Add simple Makefile formatter	2022-02-07 10:02:03 +01:00
Eisuke Kawashima	85e7b7d615	Python: PEP8 fixes (#1926) ... * fix [E401](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes) * fix [E711](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes) * fix [E713](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes) * fix [E722](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes) * fix [W601](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes) * fix [W605](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)	2022-02-03 11:35:01 +01:00
Ole Schütt	3120b66bfc	precommit: Add cmake-format	2021-11-29 19:41:30 +01:00
Fabian Ducry	f45d5d9227	fix shebang -> /usr/bin/env python3	2021-11-24 16:09:42 +01:00
Ole Schütt	9cea0ffd4a	Revive minimax_to_fortran_source.py	2021-11-17 15:22:35 +01:00
Ole Schütt	1b9c42d219	precommit: Add file extension .cc	2021-09-15 11:27:02 +02:00
Ole Schütt	f82eaf34a7	precommit: Check file properties of all files again	2021-07-24 12:01:25 +02:00
Tiziano Müller	f511d51f6f	precommit: fix check_file_properties ... Calling it with multiple filenames was broken, revised and modernized the script in the process. The cloud-based precommit was running it on all files even though it was never intended to work on shell scripts. Fixed that as well.	2021-07-11 20:19:29 +02:00
Ole Schütt	dda7d1a5b6	Refactor conventions/analyse_src.py into precommit/check_file_properties.py	2021-03-11 20:06:46 +01:00
Ole Schütt	019b66ef5e	precommit: Enable shellcheck for all .sh files	2021-03-10 15:59:13 +01:00
Ole Schütt	2e2218d9a9	precommit: Add shfmt to format shell scripts	2021-02-18 00:33:20 +01:00
Ole Schütt	d70bb55f0f	Revive Doxygen	2020-09-03 17:56:54 +02:00
Ole Schütt	e8ed587783	precommit: Increase timeout for fprettify	2020-08-30 21:03:06 +02:00
Ole Schütt	a9e0f95442	precommit: Improve entrypoint.sh and quiet pip	2020-08-30 21:03:06 +02:00
Ole Schütt	976dad76d8	precommit: Format PACKAGE files	2020-08-27 16:52:16 +02:00
Ole Schütt	8b38d1065b	precommit: Enable errors reports for prettify.py	2020-08-27 16:52:16 +02:00
Ole Schütt	bb453db103	precommit: Fix check for data/POTENTIAL file	2020-08-25 23:19:15 +02:00
Ole Schütt	dc98efcbef	precommit: Increase timeout and reduce num_workers	2020-08-25 14:53:00 +02:00
Ole Schütt	f2c59ade4c	precommit: Add check for data/POTENTIAL file	2020-08-25 14:53:00 +02:00
Ole Schütt	243f8aaefc	Format Markdown files to comply with Linter	2020-08-25 12:57:37 +02:00
Ole Schütt	e71e4793a6	precommit: Enable MarkdownLint and various small improvements	2020-08-25 12:57:37 +02:00
Ole Schütt	444cb768b4	precommit: Introduce new server-based framework	2020-08-21 00:18:56 +02:00