update to 5Jun2019

2 files changed, 38 insertions, 10 deletions

diff --git a/.SRCINFO b/.SRCINFO
index 086ddaab3da5..4ad1a1f50045 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,15 +1,15 @@
 pkgbase = lammps
 	pkgdesc = Large-scale Atomic/Molecular Massively Parallel Simulator
-	pkgver = 20181212
-	pkgrel = 3
+	pkgver = 20190605
+	pkgrel = 1
 	url = https://lammps.sandia.gov/
 	arch = x86_64
 	license = GPL
 	makedepends = cmake
 	depends = fftw
 	depends = openmpi
-	source = lammps-12Dec2018.tar.gz::https://github.com/lammps/lammps/archive/stable_12Dec2018.tar.gz
-	sha512sums = 0245576b592d93225daab9e01f82ef2fc0212a4f4df63ecf1fe58b364b2abe2c2a142f7b33a742dbd785cb19f06af7f9522a4bedbe510d26445d2e76c0015c09
+	source = lammps-5Jun2019.tar.gz::https://github.com/lammps/lammps/archive/stable_5Jun2019.tar.gz
+	sha512sums = bad41995f97bc3f4c541122366d865dc71a7c3923cda6ff13a3b0b26313ceabaf5b64f69310984d525b97a4ed8cdb014e0af0f12a39bb74e410fcc7cb1b8da0e
 
 pkgname = lammps
 
diff --git a/PKGBUILD b/PKGBUILD
index f05bfd430789..07c0a50c6487 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -8,14 +8,22 @@
 
 # HTML documentation
 _BUILD_DOC=0
+# Copy 'examples' to /usr/share/examples/lammps
+_INSTALL_EXAMPLES=0
 # KIM package
 _ENABLE_KIM=0
+# Use Intel compilers
+_ENABLE_INTEL_COMPILER=0
+# USER-INTEL package
+_ENABLE_INTEL=0
+# USER-OMP package
+_ENABLE_OMP=0
 
 pkgname=lammps
-pkgver=20181212
-_pkgver="12Dec2018"
+pkgver=20190605
+_pkgver="5Jun2019"
 #_pkgver=$(date -d ${pkgver} +%-d%b%Y)
-pkgrel=3
+pkgrel=1
 pkgdesc="Large-scale Atomic/Molecular Massively Parallel Simulator"
 url="https://lammps.sandia.gov/"
 arch=('x86_64')
@@ -23,16 +31,31 @@ license=('GPL')
 depends=('fftw' 'openmpi')
 makedepends=('cmake')
 source=("${pkgname}-${_pkgver}.tar.gz::https://github.com/${pkgname}/${pkgname}/archive/stable_${_pkgver}.tar.gz")
-sha512sums=('0245576b592d93225daab9e01f82ef2fc0212a4f4df63ecf1fe58b364b2abe2c2a142f7b33a742dbd785cb19f06af7f9522a4bedbe510d26445d2e76c0015c09')
+sha512sums=('bad41995f97bc3f4c541122366d865dc71a7c3923cda6ff13a3b0b26313ceabaf5b64f69310984d525b97a4ed8cdb014e0af0f12a39bb74e410fcc7cb1b8da0e')
 
 # process the build settings from above
+if (( $_ENABLE_INTEL_COMPILER )); then
+    _feature_args+=('-DCMAKE_C_COMPILER=mpiicc')
+    _feature_args+=('-DCMAKE_C_FLAGS=-xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits -qopt-zmm-usage=high')
+    _feature_args+=('-DCMAKE_CXX_COMPILER=mpiicpc')
+    _feature_args+=('-DCMAKE_CXX_FLAGS=-fp-model fast=2 -no-prec-div -qoverride-limits -qopt-zmm-usage=high -qno-offload -fno-alias -ansi-alias -O2 -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG')
+    _feature_args+=('-DCMAKE_Fortran_COMPILER=mpiifort')
+fi
 if (( $_BUILD_DOC )); then
     makedepends+=('python-sphinx' 'lammpsdoc')
 fi
 if (( $_ENABLE_KIM )); then
-    depends+=('kim-api<=1.9.7')
+    depends+=('kim-api>=2.0.2')
     _feature_args+=('-DPKG_KIM=yes')
 fi
+if (( $_ENABLE_INTEL )); then
+    _feature_args+=('-DINTEL_ARCH=cpu')
+    _feature_args+=('-DPKG_USER-INTEL=yes')
+fi
+if (( $_ENABLE_OMP )); then
+    _feature_args+=('-DBUILD_OMP=yes')
+    _feature_args+=('-DPKG_USER-OMP=yes')
+fi
 
 prepare(){
   cd "${pkgname}-stable_${_pkgver}"
@@ -78,10 +101,15 @@ package() {
     install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html" "html/"*.js
     install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_images" "html/_images/"*
     install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static" "html/_static/"*.png
-    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static" "html/_static/"*.gif
+    #install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static" "html/_static/"*.gif
     install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static" "html/_static/"*.js
     install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static/css" "html/_static/css/"*.css
     install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static/fonts" "html/_static/fonts/"*
     install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static/js" "html/_static/js/"*.js
   fi
+  if (( $_INSTALL_EXAMPLES )) ; then
+    mkdir -p "${pkgdir}/usr/share/examples/lammps"
+    cp -r "../examples/"* "${pkgdir}/usr/share/examples/lammps/"
+    find "${pkgdir}/usr/share/examples/lammps/" -type f -exec chmod 644 '{}' +
+  fi
 }