diff --git a/gpaw.hs_operators.py.patch b/gpaw.hs_operators.py.patch new file mode 100644 index 0000000..e887c66 --- /dev/null +++ b/gpaw.hs_operators.py.patch @@ -0,0 +1,60 @@ +--- gpaw-1.4.0/gpaw/hs_operators.py.orig 2018-05-29 14:58:42.000000000 +0200 ++++ gpaw-1.4.0/gpaw/hs_operators.py 2018-06-27 21:29:31.350279845 +0200 +@@ -25,10 +25,10 @@ + """ + + nblocks = 1 +- async = True ++ asynchronous = True + hermitian = True + +- def __init__(self, ksl, nblocks=None, async=None, hermitian=None): ++ def __init__(self, ksl, nblocks=None, asynchronous=None, hermitian=None): + """The constructor now calculates the work array sizes, but does not + allocate them. Here is a summary of the relevant variables and the + cases handled. +@@ -79,8 +79,8 @@ + self.buffer_size = ksl.buffer_size + if nblocks is not None: + self.nblocks = nblocks +- if async is not None: +- self.async = async ++ if asynchronous is not None: ++ self.asynchronous = asynchronous + if hermitian is not None: + self.hermitian = hermitian + +@@ -186,12 +186,12 @@ + rankp = (band_comm.rank + 1) % band_comm.size + self.req, self.req2 = [], [] + +- # If asyncronous, non-blocking send/receives of psit_nG's start here. +- if self.async: ++ # If asynchronous, non-blocking send/receives of psit_nG's start here. ++ if self.asynchronous: + self.req.append(band_comm.send(sbuf_mG, rankm, 11, False)) + self.req.append(band_comm.receive(rbuf_mG, rankp, 11, False)) + +- # Auxiliary asyncronous cycle, also send/receive of P_ani's. ++ # Auxiliary asynchronous cycle, also send/receive of P_ani's. + if auxiliary: + self.req2.append(band_comm.send(sbuf_nI, rankm, 31, False)) + self.req2.append(band_comm.receive(rbuf_nI, rankp, 31, False)) +@@ -232,7 +232,7 @@ + rankp = (band_comm.rank + 1) % band_comm.size + + # If syncronous, blocking send/receives of psit_nG's carried out here. +- if self.async: ++ if self.asynchronous: + assert len(self.req) == 2, 'Expected asynchronous request pairs.' + band_comm.waitall(self.req) + else: +@@ -240,7 +240,7 @@ + band_comm.sendreceive(sbuf_mG, rankm, rbuf_mG, rankp, 11, 11) + sbuf_mG, rbuf_mG = rbuf_mG, sbuf_mG + +- # Auxiliary asyncronous cycle, also wait for P_ani's. ++ # Auxiliary asynchronous cycle, also wait for P_ani's. + if auxiliary: + assert len(self.req2) == 2, 'Expected asynchronous request pairs.' + band_comm.waitall(self.req2) diff --git a/gpaw.spec b/gpaw.spec index 8d747e8..82b13a0 100644 --- a/gpaw.spec +++ b/gpaw.spec @@ -20,13 +20,14 @@ ExcludeArch: ppc64 Name: gpaw Version: 1.4.0 -Release: 1%{?dist} +Release: 2%{?dist} Summary: A grid-based real-space PAW method DFT code License: GPLv3+ URL: https://wiki.fysik.dtu.dk/gpaw/ Source0: https://gitlab.com/%{name}/%{name}/repository/archive.tar.gz?ref=%{version}#/%{name}-%{version}.tar.gz - +# https://gitlab.com/gpaw/gpaw/issues/147 +Patch0: gpaw.hs_operators.py.patch BuildRequires: time BuildRequires: libxc-devel @@ -187,6 +188,7 @@ This package contains the mpich Python 3 version. %prep %setup -qTc -a 0 +%patch0 -p0 mv %{name}-%{version} python2 pushd python2 popd @@ -437,6 +439,9 @@ popd %changelog +* Wed Jun 27 2018 Marcin Dulak - 1.4.0-2 +* patch https://gitlab.com/gpaw/gpaw/issues/147 + * Fri Jun 08 2018 Marcin Dulak - 1.4.0-1 - new upstream release - drop rhel7 support: Numpy 1.9 is required for python-ase