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-rw-r--r--.SRCINFO51
1 files changed, 10 insertions, 41 deletions
diff --git a/.SRCINFO b/.SRCINFO
index 58b0f9eeecfb..6c75216a4bad 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,54 +1,23 @@
pkgbase = nwchem
pkgdesc = Ab initio computational chemistry software package
- pkgver = 6.5.20150331
+ pkgver = 6.8.1
pkgrel = 1
url = http://www.nwchem-sw.org/index.php/Main_Page
install = nwchem.install
- arch = i686
arch = x86_64
- license = custom:ECL
- makedepends = gcc
- makedepends = gcc-fortran
- makedepends = bash
- makedepends = lapack
+ license = ECL
+ depends = gcc-fortran
depends = openmpi
depends = python2
- source = http://www.nwchem-sw.org/download.php?f=Nwchem-6.5.revision26243-src.2014-09-10.tar.gz
- source = http://www.nwchem-sw.org/images/Bcast_ccsd.patch.gz
- source = http://www.nwchem-sw.org/images/Dmapp_inc.patch.gz
- source = http://www.nwchem-sw.org/images/Elpa_syncs.patch.gz
- source = http://www.nwchem-sw.org/images/Hbar.patch.gz
- source = http://www.nwchem-sw.org/images/Hnd_giaxyz_noinline.patch.gz
- source = http://www.nwchem-sw.org/images/Hnd_rys.patch.gz
- source = http://www.nwchem-sw.org/images/Ifort15_fpp_offload.patch.gz
- source = http://www.nwchem-sw.org/images/Makefile_gcc4x.patch.gz
- source = http://www.nwchem-sw.org/images/Parallelmpi.patch.gz
- source = http://www.nwchem-sw.org/images/Print1e.patch.gz
- source = http://www.nwchem-sw.org/images/Tcenxtask.patch.gz
- source = http://www.nwchem-sw.org/images/Tddft_grad.patch.gz
- source = http://www.nwchem-sw.org/images/Texas_iorb.patch.gz
- source = http://www.nwchem-sw.org/images/Util_md_sockets.patch.gz
- source = http://www.nwchem-sw.org/images/Xlmpoles_ifort15.patch.gz
+ depends = blas
+ depends = lapack
+ depends = scalapack
+ source = https://github.com/nwchemgit/nwchem/archive/6.8.1-release.tar.gz
source = config.sh
source = nwchemrc
- sha256sums = 9af6d7d7424809785f5a833b49d526cb3e8b5703a9e061a52e426532c48f8c75
- sha256sums = 03e0d06033a02be4f1eb659212744c822041d4619b38b48c44284bc80df4ebaf
- sha256sums = 58e25a87d9a2844eaaae542ffa244c55c1075b040b7206771167e6458d9ca756
- sha256sums = ce5c45cf83d84e0a95266e667808e6e40df82e649db3b9faeb556f1e3724b8df
- sha256sums = 6058010a77bc7d0bf7468dde49d7905863f2550b282abee4cceef901481272a7
- sha256sums = 4e89a383ebd0cc87b3de03133f4a0537de799e1ae938f82a6460632e324aeeb1
- sha256sums = e52eee4df9149cce039b4b1d8047d51a5f47373fe03b57c6d0f44ca23b33c06e
- sha256sums = 907d86049b085bc4c2b9cb2e2554fba94e54e0cb2e380f9d4c5c6ea483c16915
- sha256sums = c548c64eab196ef7aabd473379ec56c879c5a6e9e9a4d31c6503279a72094839
- sha256sums = d30de8a7027bd5ea7672ad1fa63711a3cfc5cb118f878bc5308a142319d31420
- sha256sums = 59c4d96c9da4b7fb08dee2a89afcbc6ac603c141d48cf3a16e41a92dc2a539e5
- sha256sums = 6b3f713024fec9a41bd7738e3cd6d31731d17a3b59a02d9a484e0a2408fcb9ca
- sha256sums = 73028f7e1d5cae1f3b1e31d30accbaec519a073696d96110ebba02cb6735ba9f
- sha256sums = 0caab84a2b9628a65232c24364c45ab29dd8637b0b29b15e1d089005eda20745
- sha256sums = 843d0d9152a3d3735557a8710ae8c6a260732a2b8e0d9ed823bbd430efff44ee
- sha256sums = ae957064165afe8abcfeb580146b59b8ca680a7a5f528402047b3f8672c1e131
- sha256sums = a4bcc6025adbc2fda50b5efebaabce87260c73430dcab3141eebbb0234e45fbb
- sha256sums = d63fdfc44a8f44419748e029d031c91716635ac4f062cd835014cde04677b90f
+ sha256sums = ea3cf029d578729fe61041dcb63fa8d5a2d012b662c4f026d1fa22ef10401bf5
+ sha256sums = SKIP
+ sha256sums = SKIP
pkgname = nwchem