Bump mctc-lib to 0.5.0 (#58)

Co-authored-by: thfroitzheim <[email protected]>

Author: marvinfriede

.github/workflows/build.yml

@@ -1,6 +1,24 @@
 name: CI
 
-on: [push, pull_request]
+on:
+  push:
+    branches:
+      - main
+      - master
+    paths-ignore:
+      - "doc*/**"
+      - "./*.ya?ml"
+      - "**/*.md"
+      - "**/*.rst"
+
+  pull_request:
+    paths-ignore:
+      - "doc*/**"
+      - "./*.ya?ml"
+      - "**/*.md"
+      - "**/*.rst"
+
+  workflow_dispatch:
 
 env:
   BUILD_DIR: _build
@@ -31,7 +49,7 @@ jobs:
         build: [meson, cmake]
         build-type: [debug]
         compiler: [gnu]
-        version: [12]
+        version: [14]
 
         include:
         - os: ubuntu-latest
@@ -84,7 +102,7 @@ jobs:
         ln -s $gfortran_path /usr/local/bin/gfortran
         ln -s $gcc_path /usr/local/bin/gcc
         ln -s $gplusplus_path /usr/local/bin/g++
-        echo "PKG_CONFIG_PATH=/usr/local/opt/openblas/lib/pkgconfig" >> $GITHUB_ENV
+        echo "PKG_CONFIG_PATH=/opt/homebrew/opt/openblas/lib/pkgconfig" >> $GITHUB_ENV
         echo "LDFLAGS=-L/opt/homebrew/opt/openblas/lib" >> $GITHUB_ENV
         echo "CPPFLAGS=-I/opt/homebrew/opt/openblas/include" >> $GITHUB_ENV
 

config/cmake/Findmctc-lib.cmake

@@ -16,7 +16,7 @@
 set(_lib "mctc-lib")
 set(_pkg "MCTCLIB")
 set(_url "https://github.com/grimme-lab/mctc-lib")
-set(_rev "v0.4.1")
+set(_rev "v0.5.1")
 
 if(NOT DEFINED "${_pkg}_FIND_METHOD")
   if(DEFINED "${PROJECT_NAME}-dependency-method")

config/meson.build

@@ -25,6 +25,7 @@ fc_id = fc.get_id()
 if fc_id == 'intel-llvm'
   fc_id = 'intel'
 endif
+
 if fc_id == 'gcc'
   add_project_arguments(
     '-ffree-line-length-none',
@@ -134,7 +135,6 @@ elif lapack_vendor == 'custom'
 
   lib_deps += custom_deps
 
-
 else
   lapack_dep = dependency(ilp64 ? 'lapack64' : 'lapack', required: false)
   if not lapack_dep.found()
@@ -153,7 +153,7 @@ mctc_dep = dependency('mctc-lib', required: false)
 if not mctc_dep.found()
   mctc_prj = subproject(
     'mctc-lib',
-    version: '>=0.4.1',
+    version: '>=0.5.1',
     default_options: [
       'default_library=static',
     ],

fpm.toml

@@ -10,7 +10,7 @@ link = ["lapack", "blas"]
 
 [dependencies]
 mctc-lib.git = "https://github.com/grimme-lab/mctc-lib.git"
-mctc-lib.tag = "v0.4.1"
+mctc-lib.tag = "v0.5.1"
 
 [dev-dependencies]
 mstore.git = "https://github.com/grimme-lab/mstore.git"

subprojects/mctc-lib.wrap

@@ -1,4 +1,4 @@
 [wrap-git]
 directory = mctc-lib
 url = https://github.com/grimme-lab/mctc-lib
-revision = v0.4.1
+revision = v0.5.1