diff --git a/debian/changelog b/debian/changelog index 919ca54..58a8402 100644 --- a/debian/changelog +++ b/debian/changelog @@ -1,5 +1,5 @@ -votca-xtp (1.6-1) unstable; urgency=medium +votca-xtp (1.6.1-1) unstable; urgency=medium * Initial release. (Closes: #921202) - -- Nicholas Breen Sun, 19 Apr 2020 13:13:55 -0700 + -- Nicholas Breen Sat, 18 Jul 2020 08:36:08 -0700 diff --git a/debian/control b/debian/control index f6599d3..43f6b33 100644 --- a/debian/control +++ b/debian/control @@ -18,14 +18,14 @@ libfftw3-dev, libhdf5-dev, libsqlite3-dev, - libvotca-csg-dev (>= 1.6), + libvotca-csg-dev (>= 1.6.1), libvotca-csg-dev (<< 1.7~), - libvotca-tools-dev (>= 1.6), + libvotca-tools-dev (>= 1.6.1), libvotca-tools-dev (<< 1.7~), libxc-dev, pkg-config, python3, - votca-csg (>= 1.6) + votca-csg (>= 1.6.1) Standards-Version: 4.5.0 Rules-Requires-Root: no Homepage: http://www.votca.org/ diff --git a/debian/salsa-ci.yml b/debian/salsa-ci.yml new file mode 100644 index 0000000..e811b05 --- /dev/null +++ b/debian/salsa-ci.yml @@ -0,0 +1,7 @@ +include: + - https://salsa.debian.org/salsa-ci-team/pipeline/raw/master/salsa-ci.yml + - https://salsa.debian.org/salsa-ci-team/pipeline/raw/master/pipeline-jobs.yml + +variables: + SALSA_CI_DISABLE_REPROTEST: 1 + diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~ deleted file mode 100644 index d29b493..0000000 --- a/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~ +++ /dev/null @@ -1,20 +0,0 @@ - - - - CH4_i.mps - CH4_i.mps - output.xml - - - 0.39000 - 0.35000 - 1024 - 0.00001 - - - true - 2.3191 0.0 0.0 2.3199 0.0 2.3204 - 0.00001 - - - diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~ deleted file mode 100644 index 6f9757e..0000000 --- a/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~ +++ /dev/null @@ -1,20 +0,0 @@ - - - - CH4_h.mps - CH4_h.mps - output.xml - - - 0.39000 - 0.35000 - 1024 - 0.00001 - - - true - 1.4451 0.0 0.0 2.0267 0.0 2.0267 - 0.00001 - - - diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~ deleted file mode 100644 index b1444a7..0000000 --- a/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~ +++ /dev/null @@ -1,20 +0,0 @@ - - - - CH4_n.mps - CH4_n.mps - output.xml - - - 0.39000 - 0.35000 - 1024 - 0.00001 - - - true - 2.3191 0.0 0.0 2.3199 0.0 2.3204 - 0.00001 - - -