From 5f486da7181d10d3e2a5c0b0515bd917d5d64d22 Mon Sep 17 00:00:00 2001 From: Eisuke Kawashima Date: Mon, 19 May 2025 17:58:10 +0900 Subject: [PATCH] bump to v4.0.0 --- .SRCINFO | 6 +++--- PKGBUILD | 7 ++++--- dftd4-build.patch | 48 ----------------------------------------------- 3 files changed, 7 insertions(+), 54 deletions(-) delete mode 100644 dftd4-build.patch diff --git a/.SRCINFO b/.SRCINFO index 1544469c884b..772b36cf74a8 100644 --- a/.SRCINFO +++ b/.SRCINFO @@ -1,6 +1,6 @@ pkgbase = dftd4 pkgdesc = A Generally Applicable Atomic-Charge Dependent London Dispersion Correction - pkgver = 3.7.0 + pkgver = 4.0.0 pkgrel = 1 url = https://github.com/dftd4/dftd4 arch = x86_64 @@ -11,7 +11,7 @@ pkgbase = dftd4 makedepends = asciidoctor depends = blas depends = lapack - source = https://github.com/dftd4/dftd4/releases/download/v3.7.0/dftd4-3.7.0.tar.xz - sha256sums = 4e8749df6852bf863d5d1831780a2d30e9ac4afcfebbbfe5f6a6a73d06d6c6ee + source = https://github.com/dftd4/dftd4/releases/download/v4.0.0/dftd4-4.0.0-source.tar.xz + sha256sums = 401e49893d98a1da82896998a6345b62f709683cbb19d9cbbe10564b9fc353e4 pkgname = dftd4 diff --git a/PKGBUILD b/PKGBUILD index 8af9afd251f5..3f51251a7791 100644 --- a/PKGBUILD +++ b/PKGBUILD @@ -1,7 +1,8 @@ +# Maintainer: Eisuke Kawashima # Maintainer: Sebastian Ehlert pkgname=dftd4 -pkgver=3.7.0 +pkgver=4.0.0 pkgrel=1 arch=('x86_64') url='https://github.com/dftd4/dftd4' @@ -13,8 +14,8 @@ makedepends=('meson' 'asciidoctor') license=('LGPL-3.0') pkgdesc='A Generally Applicable Atomic-Charge Dependent London Dispersion Correction' -source=("https://github.com/dftd4/dftd4/releases/download/v$pkgver/dftd4-$pkgver.tar.xz") -sha256sums=('4e8749df6852bf863d5d1831780a2d30e9ac4afcfebbbfe5f6a6a73d06d6c6ee') +source=("https://github.com/dftd4/dftd4/releases/download/v${pkgver}/${pkgname}-${pkgver}-source.tar.xz") +sha256sums=('401e49893d98a1da82896998a6345b62f709683cbb19d9cbbe10564b9fc353e4') build() { local options=( diff --git a/dftd4-build.patch b/dftd4-build.patch deleted file mode 100644 index 8f9cbdd6cf10..000000000000 --- a/dftd4-build.patch +++ /dev/null @@ -1,48 +0,0 @@ -diff --git a/meson.build b/meson.build -index ea1685c..2f0479b 100644 ---- a/meson.build -+++ b/meson.build -@@ -6,7 +6,7 @@ project('dftd4', 'fortran', - - conf = configuration_data() - conf.set('version', meson.project_version()) --conf.set('commit', run_command(find_program('git'),'show','-s','--format=%h').stdout().strip()) -+conf.set('commit', 'aur') - conf.set('date', run_command(find_program('date'),'-I').stdout().strip()) - conf.set('author', run_command(find_program('whoami')).stdout().strip()) - conf.set('origin', run_command(find_program('hostname')).stdout().strip()) -diff --git a/tests/dftd4.f90 b/tests/dftd4.f90 -index 8eca975..4ad4f64 100644 ---- a/tests/dftd4.f90 -+++ b/tests/dftd4.f90 -@@ -391,7 +391,7 @@ subroutine test_dftd4_pbc_energies - call mol%wrap_back - call mol%calculate_distances - -- call generate_wsc(mol,mol%wsc,wsc_rep) -+ call generate_wsc(mol,mol%wsc) - call dispm%new(mol%at,refqmode,g_a,g_c) - ndim = sum(dispm%atoms*dispm%nref) - call assert_eq(ndim,26) -@@ -529,7 +529,7 @@ subroutine test_dftd4_cell_gradient - call mol%wrap_back - call mol%calculate_distances - -- call generate_wsc(mol,mol%wsc,wsc_rep) -+ call generate_wsc(mol,mol%wsc) - call dispm%new(mol%at,refqmode,g_a,g_c) - ndim = sum(dispm%atoms*dispm%nref) - -diff --git a/tests/eeq_model.f90 b/tests/eeq_model.f90 -index cc78723..6412c23 100644 ---- a/tests/eeq_model.f90 -+++ b/tests/eeq_model.f90 -@@ -140,7 +140,7 @@ subroutine test_eeq_model_ewald - energy = 0.0_wp - sigma = 0.0_wp - -- call generate_wsc(mol,mol%wsc,wsc_rep) -+ call generate_wsc(mol,mol%wsc) - - call pbc_dncoord_erf(mol,cn,dcndr,dcndL,900.0_wp) -