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50 lines (45 loc) · 1.44 KB
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name = "mctc-lib"
version = "0.7.0"
license = "Apache-2.0"
maintainer = ["@awvwgk"]
author = ["Sebastian Ehlert"]
copyright = "2020-2026 Sebastian Ehlert"
description = "Modular computation tool chain library"
keywords = ["computational-chemistry", "io"]
[dependencies]
jonquil.git = "https://github.com/toml-f/jonquil.git"
jonquil.tag = "v0.3.1"
toml-f.git = "https://github.com/toml-f/toml-f.git"
toml-f.tag = "v0.5.1"
[[executable]]
name = "mctc-convert"
[extra.ford]
project = "MCTC-library"
summary = "Modular computation tool chain library"
project_github = "https://github.com/grimme-lab/mctc-lib"
project_download = "https://github.com/grimme-lab/mctc-lib/releases"
author = "Grimme group, Bonn"
github = "https://github.com/grimme-lab"
src_dir = ["./src", "./app"]
output_dir = "./_docs"
exclude_dir = ["./test"]
page_dir = "./doc"
docmark = "<"
predocmark = ">"
source = true
graph = false
sort = "alpha"
print_creation_date = true
creation_date = "%Y-%m-%d %H:%M %z"
md_extensions = ["markdown.extensions.toc", "markdown.extensions.smarty"]
[extra.ford.extra_mods]
iso_fortran_env = "https://gcc.gnu.org/onlinedocs/gfortran/ISO_005fFORTRAN_005fENV.html"
jonquil = "https://toml-f.github.io/jonquil/module/jonquil.html"
[extra.fortitude.check]
ignore = [
"C002", # interface without implicit none
"C003", # implicit none(external)
]
per-file-ignores."src/mctc/io/symbols.f90" = ["C072"]
per-file-ignores."src/mctc/io/resize.f90" = ["C072"]
line-length = 132