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| author | Sebastian Ehlert | 2020-06-11 09:44:47 +0200 |
|---|---|---|
| committer | Sebastian Ehlert | 2020-06-11 09:44:47 +0200 |
| commit | 7082c69454d29496a40a23201d7b5e318d1e23bf (patch) | |
| tree | 1c3ab767a5d27847415917f00c6caf8abbeffa98 | |
| parent | 17bbad3f4c568ead7c406ecd109a5baf6e881d7a (diff) | |
| download | aur-7082c69454d29496a40a23201d7b5e318d1e23bf.tar.gz | |
Fix build issues with GCC10.1
| -rw-r--r-- | .SRCINFO | 6 | ||||
| -rw-r--r-- | PKGBUILD | 8 | ||||
| -rw-r--r-- | dftd4-build.patch | 35 |
3 files changed, 42 insertions, 7 deletions
@@ -1,7 +1,7 @@ pkgbase = dftd4 pkgdesc = A Generally Applicable Atomic-Charge Dependent London Dispersion Correction pkgver = 2.5.0 - pkgrel = 1 + pkgrel = 2 url = https://github.com/dftd4/dftd4 arch = x86_64 license = LGPL3 @@ -13,9 +13,9 @@ pkgbase = dftd4 source = dftd4::https://github.com/dftd4/dftd4/archive/v2.5.0.tar.gz source = dftd4-build.patch md5sums = f2685bcbea28bc811cf198091a0545dc - md5sums = f69b8bac09b6f4dd29b1aaca763913c7 + md5sums = 4b0b95dc360c6ff73c46af6925ab4e76 sha256sums = 014e2917f2b636c062325d59a4a0f068550bd3b119742be80e956456478ee2d6 - sha256sums = 36ce3527ec42095836a84b5aa4050acab602b9fca5eb95ea20bf28c299d086f7 + sha256sums = 06939d2b0370b7903bcbd3c4e824a7e78c4bbc71315846e9827cd0d49d020122 pkgname = dftd4 @@ -2,7 +2,7 @@ pkgname=dftd4 pkgver=2.5.0 -pkgrel=1 +pkgrel=2 arch=('x86_64') url="https://github.com/dftd4/dftd4" depends=('gcc-fortran' 'openblas' 'lapack') @@ -12,13 +12,13 @@ pkgdesc="A Generally Applicable Atomic-Charge Dependent London Dispersion Correc source=("${pkgname}::https://github.com/dftd4/dftd4/archive/v2.5.0.tar.gz" "dftd4-build.patch") sha256sums=('014e2917f2b636c062325d59a4a0f068550bd3b119742be80e956456478ee2d6' - '36ce3527ec42095836a84b5aa4050acab602b9fca5eb95ea20bf28c299d086f7') + '06939d2b0370b7903bcbd3c4e824a7e78c4bbc71315846e9827cd0d49d020122') md5sums=('f2685bcbea28bc811cf198091a0545dc' - 'f69b8bac09b6f4dd29b1aaca763913c7') + '4b0b95dc360c6ff73c46af6925ab4e76') build() { cd "${srcdir}/${pkgname}-${pkgver}" - patch < "${srcdir}"/dftd4-build.patch + patch -p1 < "${srcdir}"/dftd4-build.patch mkdir -p "${srcdir}/${pkgname}-${pkgver}"/_build cd "${srcdir}/${pkgname}-${pkgver}"/_build meson setup . .. \ diff --git a/dftd4-build.patch b/dftd4-build.patch index f9486c492c8c..8f9cbdd6cf10 100644 --- a/dftd4-build.patch +++ b/dftd4-build.patch @@ -11,3 +11,38 @@ index ea1685c..2f0479b 100644 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) + |